smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])/C(=C(/c1ccccc1)c1ccc(Cl)cc1)c1ccccc1	ZINC000001570039	563392799	/nfs/dbraw/zinc/39/27/99/563392799.db2.gz	BKHHENUGTSTIAX-VXPUYCOJSA-N	-1	0	334.802	5.384	40	0		EKABRM
O=C([O-])/C(=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1	ZINC000001570040	563392760	/nfs/dbraw/zinc/39/27/60/563392760.db2.gz	BKHHENUGTSTIAX-FMQUCBEESA-N	-1	0	334.802	5.384	40	0		EKABRM
O=C([O-])c1cc2ccc(Cl)cc2c2c1C(=O)c1cc(Cl)ccc1-2	ZINC000001600035	563395772	/nfs/dbraw/zinc/39/57/72/563395772.db2.gz	NUIBHBRSXSTTKO-UHFFFAOYSA-N	-1	0	343.165	5.056	40	0		EKABRM
O=C([O-])c1cccc2ccc3c(c21)Nc1ccc2ccccc2c1S3	ZINC000001602282	201512450	/nfs/dbraw/zinc/51/24/50/201512450.db2.gz	PYPSXEOELQKZIA-UHFFFAOYSA-N	-1	0	343.407	5.899	40	0		EKABRM
CC(C)(C)c1ccc([O-])c(Sc2cc(C(C)(C)C)ccc2O)c1	ZINC000001641184	563398540	/nfs/dbraw/zinc/39/85/40/563398540.db2.gz	KERJVHXRZDUVKQ-UHFFFAOYSA-N	-1	0	330.493	5.844	40	0		EKABRM
O=C([O-])CCCCCCCCCCOc1ccc(Cl)cc1Cl	ZINC000001680722	563402654	/nfs/dbraw/zinc/40/26/54/563402654.db2.gz	KLLFBPVLBUOEFD-UHFFFAOYSA-N	-1	0	347.282	5.968	40	0		EKABRM
O=C([O-])C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1	ZINC000001687757	563403867	/nfs/dbraw/zinc/40/38/67/563403867.db2.gz	USBNCBWTGNVEEO-UHFFFAOYSA-N	-1	0	345.272	5.289	40	0	in-vitro	EKABRM
Cc1cc([O-])c(Sc2c(C)c(Cl)c(C)cc2O)c(C)c1Cl	ZINC000001700228	563404626	/nfs/dbraw/zinc/40/46/26/563404626.db2.gz	KUXLZVPJUMXGIS-UHFFFAOYSA-N	-1	0	343.275	5.789	40	0		EKABRM
Cc1c(-c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1C(=O)[O-]	ZINC000001702437	209783050	/nfs/dbraw/zinc/78/30/50/209783050.db2.gz	KFAGTAGKDMOLNV-UHFFFAOYSA-N	-1	0	332.186	5.215	40	0		EKABRM
O=C([O-])c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1	ZINC000001718740	563406883	/nfs/dbraw/zinc/40/68/83/563406883.db2.gz	QFBFXQAGSUBTME-UHFFFAOYSA-N	-1	0	339.394	5.714	40	0		EKABRM
[S-]c1ccccc1-n1c(-c2ccccc2)ccc1-c1ccccc1	ZINC000002022451	563417985	/nfs/dbraw/zinc/41/79/85/563417985.db2.gz	QVSUAHZNAOEGJL-UHFFFAOYSA-N	-1	0	327.452	6.100	40	0		EKABRM
O=C([O-])c1oc2ccccc2c1C=C(c1ccccc1)c1ccccc1	ZINC000002022803	563418248	/nfs/dbraw/zinc/41/82/48/563418248.db2.gz	IBJMSNMTJMKNSO-UHFFFAOYSA-N	-1	0	340.378	5.720	40	0		EKABRM
C/C(=C/c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C	ZINC000002568233	209869249	/nfs/dbraw/zinc/86/92/49/209869249.db2.gz	FOIVPCKZDPCJJY-PEZBUJJGSA-N	-1	0	348.486	6.294	40	0		EKABRM
CC(C)c1cc2cc(C(C)C)c(S(=O)(=O)[O-])cc2cc1C(C)C	ZINC000002584248	209871773	/nfs/dbraw/zinc/87/17/73/209871773.db2.gz	HLISQZROVKYKGC-UHFFFAOYSA-N	-1	0	334.481	5.457	40	0		EKABRM
[S-]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1	ZINC000003107446	564117113	/nfs/dbraw/zinc/11/71/13/564117113.db2.gz	PABZFYBJRQNNMP-UHFFFAOYSA-N	-1	0	338.475	6.976	40	0		EKABRM
O=C([O-])c1ccccc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000003614835	210066335	/nfs/dbraw/zinc/06/63/35/210066335.db2.gz	WVUIRBFRXSXENX-UHFFFAOYSA-N	-1	0	349.230	5.166	40	0		EKABRM
CCCC(C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846415	563489077	/nfs/dbraw/zinc/48/90/77/563489077.db2.gz	GTJWLICNGQSVJA-VBSBHUPXSA-N	-1	0	344.495	5.290	40	0		EKABRM
CCCC(C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846416	563489002	/nfs/dbraw/zinc/48/90/02/563489002.db2.gz	GTJWLICNGQSVJA-LMCOJAPRSA-N	-1	0	344.495	5.290	40	0		EKABRM
CCCC(C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846417	563489062	/nfs/dbraw/zinc/48/90/62/563489062.db2.gz	GTJWLICNGQSVJA-AFYVEPGGSA-N	-1	0	344.495	5.290	40	0		EKABRM
CC/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)[O-]	ZINC000004214727	574412247	/nfs/dbraw/zinc/41/22/47/574412247.db2.gz	PIFPCDRPHCQLSJ-WYIJOVFWSA-N	-1	0	330.512	6.773	40	0	endogenous,in-man	EKABRM
CCCC[C@H](CC)CCC(CC[C@@H](CC)CCCC)S(=O)(=O)[O-]	ZINC000004428845	210191943	/nfs/dbraw/zinc/19/19/43/210191943.db2.gz	OVFSRTCHWHAQPF-ROUUACIJSA-N	-1	0	348.593	6.236	40	0		EKABRM
CCCC[C@@H](CC)CCC(CC[C@H](CC)CCCC)S(=O)(=O)[O-]	ZINC000004428846	210192358	/nfs/dbraw/zinc/19/23/58/210192358.db2.gz	OVFSRTCHWHAQPF-QZTJIDSGSA-N	-1	0	348.593	6.236	40	0		EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)[O-]	ZINC000004543555	210218869	/nfs/dbraw/zinc/21/88/69/210218869.db2.gz	YUFFSWGQGVEMMI-RCHUDCCISA-N	-1	0	330.512	6.773	40	0		EKABRM
Cc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(C)cc1C	ZINC000004639080	564005245	/nfs/dbraw/zinc/00/52/45/564005245.db2.gz	JCMHNFIKWNJQOI-UHFFFAOYSA-N	-1	0	338.432	5.177	40	0		EKABRM
Cc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1cc(C)ccc1C	ZINC000004639083	564005231	/nfs/dbraw/zinc/00/52/31/564005231.db2.gz	UWQYODLWGCRNCI-UHFFFAOYSA-N	-1	0	338.432	5.177	40	0		EKABRM
Cc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(C)c(C)c1	ZINC000004639085	210236473	/nfs/dbraw/zinc/23/64/73/210236473.db2.gz	YZYJQXNCWZFRBQ-UHFFFAOYSA-N	-1	0	338.432	5.177	40	0		EKABRM
CCCc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccccc1	ZINC000004639087	210237496	/nfs/dbraw/zinc/23/74/96/210237496.db2.gz	RPWPQWBWTMWKIF-UHFFFAOYSA-N	-1	0	338.432	5.204	40	0		EKABRM
CCCCC/C=C\C/C(=C\CCCCCCCC(=O)[O-])[N+](=O)[O-]	ZINC000004654921	564065610	/nfs/dbraw/zinc/06/56/10/564065610.db2.gz	LELVHAQTWXTCLY-XYWKCAQWSA-N	-1	0	325.449	5.489	40	0	endogenous,in-man	EKABRM
CCC(CC)[C@H]1Nc2c(C(=O)[O-])cc(Cl)cc2[C@@H]2[C@H]1[C@@H]1CC[C@H]2C1	ZINC000004722535	201614523	/nfs/dbraw/zinc/61/45/23/201614523.db2.gz	CQASREBRZYVQSE-CEIJYURPSA-N	-1	0	347.886	5.398	40	0		EKABRM
CCC(CC)[C@@H]1Nc2c(C(=O)[O-])cc(Cl)cc2[C@@H]2[C@H]1[C@@H]1CC[C@H]2C1	ZINC000004722540	210259113	/nfs/dbraw/zinc/25/91/13/210259113.db2.gz	CQASREBRZYVQSE-RBGFHWGBSA-N	-1	0	347.886	5.398	40	0		EKABRM
CCC(CC)[C@H]1Nc2c(C(=O)[O-])cc(Cl)cc2[C@H]2[C@H]3CC[C@H](C3)[C@@H]21	ZINC000004722544	564028450	/nfs/dbraw/zinc/02/84/50/564028450.db2.gz	CQASREBRZYVQSE-ZQJAEHDGSA-N	-1	0	347.886	5.398	40	0		EKABRM
CCC(CC)[C@@H]1Nc2c(C(=O)[O-])cc(Cl)cc2[C@H]2[C@H]3CC[C@H](C3)[C@@H]21	ZINC000004722549	564028460	/nfs/dbraw/zinc/02/84/60/564028460.db2.gz	CQASREBRZYVQSE-PCWYZGSCSA-N	-1	0	347.886	5.398	40	0		EKABRM
O=C(C=C([O-])c1ccccc1)C[C@@H](Nc1ccccc1)c1ccccc1	ZINC000004830553	210290608	/nfs/dbraw/zinc/29/06/08/210290608.db2.gz	AXZQDTZWPCEZSU-JOCHJYFZSA-N	-1	0	343.426	5.072	40	0		EKABRM
CCCCCc1ccc(-c2ccc(-c3ccc(C(=O)[O-])cc3)nc2)cc1	ZINC000004903366	564005543	/nfs/dbraw/zinc/00/55/43/564005543.db2.gz	NVUXEMRVYUYIRX-UHFFFAOYSA-N	-1	0	345.442	5.847	40	0		EKABRM
C[C@@H](CC(=O)[O-])C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000004976477	210345991	/nfs/dbraw/zinc/34/59/91/210345991.db2.gz	FNVPWJCKNPMUII-SFHVURJKSA-N	-1	0	330.427	5.132	40	0		EKABRM
CC/C=C/C/C=C/C/C=C\CCCCCCCCCCCC(=O)[O-]	ZINC000005447625	210465560	/nfs/dbraw/zinc/46/55/60/210465560.db2.gz	WBBQTNCISCKUMU-KYNNUBNZSA-N	-1	0	334.544	7.221	40	0		EKABRM
CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCCCC(=O)[O-]	ZINC000005510380	564067043	/nfs/dbraw/zinc/06/70/43/564067043.db2.gz	TWSWSIQAPQLDBP-BJCBFJDFSA-N	-1	0	332.528	6.997	40	0	in-vitro	EKABRM
CCCC[C@H](Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-]	ZINC000005573059	563540778	/nfs/dbraw/zinc/54/07/78/563540778.db2.gz	JVMFTQLUKCGJCG-INIZCTEOSA-N	-1	0	336.472	5.009	40	0		EKABRM
CCSc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)[O-]	ZINC000005673880	563544802	/nfs/dbraw/zinc/54/48/02/563544802.db2.gz	UYBRVIMTHIGNQC-UHFFFAOYSA-N	-1	0	343.835	5.365	40	0		EKABRM
CCSc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)[O-]	ZINC000005714509	201660954	/nfs/dbraw/zinc/66/09/54/201660954.db2.gz	QNZDGMREJNLWAP-UHFFFAOYSA-N	-1	0	343.835	5.365	40	0		EKABRM
COc1cc(C)c(/C=C/C(C)=C/C=C\C(C)=C/C(=O)[O-])c(C)c1C	ZINC000005765111	563549410	/nfs/dbraw/zinc/54/94/10/563549410.db2.gz	IHUNBGSDBOWDMA-FZCLVFSMSA-N	-1	0	326.436	5.167	40	0	in-vitro	EKABRM
CCCC[C@@H](Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-]	ZINC000005784450	210537654	/nfs/dbraw/zinc/53/76/54/210537654.db2.gz	JVMFTQLUKCGJCG-MRXNPFEDSA-N	-1	0	336.472	5.009	40	0		EKABRM
N#C/C(=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1ccc(Cl)cc1	ZINC000005996166	564125760	/nfs/dbraw/zinc/12/57/60/564125760.db2.gz	WABFEUAZVWSORC-WJDWOHSUSA-N	-1	0	349.773	5.362	40	0		EKABRM
O=C([O-])/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	ZINC000006221043	210602516	/nfs/dbraw/zinc/60/25/16/210602516.db2.gz	DFNQZDFMDFBODY-QPEQYQDCSA-N	-1	0	327.594	5.272	40	0		EKABRM
CC(C)c1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000006347710	564125905	/nfs/dbraw/zinc/12/59/05/564125905.db2.gz	VDUDVYLAZNSNCE-KUDFPVQQSA-N	-1	0	333.431	5.335	40	0		EKABRM
CC(C)c1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000006347748	563992336	/nfs/dbraw/zinc/99/23/36/563992336.db2.gz	VDUDVYLAZNSNCE-CEQIKUNHSA-N	-1	0	333.431	5.335	40	0		EKABRM
Cc1c(OCc2cccc3ccccc32)ccc2c([O-])cc(=S)oc12	ZINC000006483626	563569135	/nfs/dbraw/zinc/56/91/35/563569135.db2.gz	RURMMJAERAITHY-UHFFFAOYSA-N	-1	0	348.423	5.909	40	0		EKABRM
Cc1cc([N-]C(=S)SCc2ccc(Cl)cc2)ccc1F	ZINC000006484572	563569150	/nfs/dbraw/zinc/56/91/50/563569150.db2.gz	JLWCTFDAFHZWCV-UHFFFAOYSA-N	-1	0	325.861	5.418	40	0		EKABRM
Cc1ccc([N-]C(=S)SCc2ccc(Cl)cc2)cc1Cl	ZINC000006488188	563569592	/nfs/dbraw/zinc/56/95/92/563569592.db2.gz	GBTZJNFWUTVLQG-UHFFFAOYSA-N	-1	0	342.316	5.932	40	0		EKABRM
COc1ccc(CSC(=S)[N-]c2ccc(C)c(Cl)c2)cc1	ZINC000006488190	563569629	/nfs/dbraw/zinc/56/96/29/563569629.db2.gz	COYHDZBLPVQRMA-UHFFFAOYSA-N	-1	0	337.897	5.287	40	0		EKABRM
Fc1ccc([N-]C(=S)SCc2ccc(Cl)c(Cl)c2)cc1	ZINC000006512116	563570861	/nfs/dbraw/zinc/57/08/61/563570861.db2.gz	PORDMKUNOZYFEQ-UHFFFAOYSA-N	-1	0	346.279	5.763	40	0		EKABRM
S=C([N-]c1cc(Cl)cc(Cl)c1)SCc1ccccc1	ZINC000006575154	563573185	/nfs/dbraw/zinc/57/31/85/563573185.db2.gz	NKJREIVPIUWPBQ-UHFFFAOYSA-N	-1	0	328.289	5.624	40	0		EKABRM
FC(F)(F)c1ccccc1[N-]C(=S)SCc1ccccc1	ZINC000006575162	563573209	/nfs/dbraw/zinc/57/32/09/563573209.db2.gz	WSEKLXFRVLAIFR-UHFFFAOYSA-N	-1	0	327.396	5.336	40	0		EKABRM
O=C([O-])c1ccccc1S[C@H](C(=O)c1ccccc1)c1ccccc1	ZINC000006885481	563590857	/nfs/dbraw/zinc/59/08/57/563590857.db2.gz	RQEQGCLYOWDZCC-FQEVSTJZSA-N	-1	0	348.423	5.101	40	0		EKABRM
O=C([O-])c1ccccc1S[C@@H](C(=O)c1ccccc1)c1ccccc1	ZINC000006885563	563590828	/nfs/dbraw/zinc/59/08/28/563590828.db2.gz	RQEQGCLYOWDZCC-HXUWFJFHSA-N	-1	0	348.423	5.101	40	0		EKABRM
CCc1ccc(/N=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1	ZINC000006941078	564126237	/nfs/dbraw/zinc/12/62/37/564126237.db2.gz	DYMLNRTUWMCWEV-OEAKJJBVSA-N	-1	0	346.430	5.105	40	0		EKABRM
CCc1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc1	ZINC000006943485	563592229	/nfs/dbraw/zinc/59/22/29/563592229.db2.gz	DRMCFRVGMOCQOK-FVJLSDCUSA-N	-1	0	333.431	5.082	40	0		EKABRM
CCc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc1	ZINC000006943549	564126259	/nfs/dbraw/zinc/12/62/59/564126259.db2.gz	PPUJWEHSFVYSPQ-UEXGIBASSA-N	-1	0	333.431	5.082	40	0		EKABRM
CCc1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1	ZINC000006943597	564126276	/nfs/dbraw/zinc/12/62/76/564126276.db2.gz	DRMCFRVGMOCQOK-FIKGOQFSSA-N	-1	0	333.431	5.082	40	0		EKABRM
CCc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000006943661	564126254	/nfs/dbraw/zinc/12/62/54/564126254.db2.gz	PPUJWEHSFVYSPQ-WFXMLNOXSA-N	-1	0	333.431	5.082	40	0		EKABRM
Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000006961972	564015266	/nfs/dbraw/zinc/01/52/66/564015266.db2.gz	XBGUCPVCHMXJAA-UHFFFAOYSA-N	-1	0	348.427	5.069	40	0		EKABRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21	ZINC000006965671	564126500	/nfs/dbraw/zinc/12/65/00/564126500.db2.gz	FSVGOGXKWGBDON-NPPFBWRTSA-N	-1	0	347.458	5.643	40	0		EKABRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21	ZINC000006965713	564126472	/nfs/dbraw/zinc/12/64/72/564126472.db2.gz	FSVGOGXKWGBDON-NJNPRVFISA-N	-1	0	347.458	5.643	40	0		EKABRM
Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000006966526	564126506	/nfs/dbraw/zinc/12/65/06/564126506.db2.gz	FACFXDXPZUENOP-YDZHTSKRSA-N	-1	0	346.430	5.160	40	0		EKABRM
O=C([O-])c1ccccc1[C@@H]1Nc2c3ccccc3ccc2[C@H]2C=CC[C@@H]21	ZINC000007098980	564126604	/nfs/dbraw/zinc/12/66/04/564126604.db2.gz	XLGZLWYORQKFQM-PNLZDCPESA-N	-1	0	341.410	5.365	40	0		EKABRM
O=C([O-])c1ccccc1[C@@H]1Nc2c3ccccc3ccc2[C@H]2C=CC[C@H]21	ZINC000007098998	564126625	/nfs/dbraw/zinc/12/66/25/564126625.db2.gz	XLGZLWYORQKFQM-GSHUGGBRSA-N	-1	0	341.410	5.365	40	0		EKABRM
O=C([O-])/C(=C/c1cccc2ccccc12)Sc1nc2ccccc2o1	ZINC000007602987	564126763	/nfs/dbraw/zinc/12/67/63/564126763.db2.gz	AZKZMRGTBUIOHZ-PDGQHHTCSA-N	-1	0	347.395	5.199	40	0		EKABRM
O=C([O-])c1c(OCc2cccc3ccccc32)ccc2ccccc21	ZINC000007604045	564015737	/nfs/dbraw/zinc/01/57/37/564015737.db2.gz	SOMPHNLBJMKTLJ-UHFFFAOYSA-N	-1	0	328.367	5.270	40	0		EKABRM
O=C([O-])c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1	ZINC000007604047	564066482	/nfs/dbraw/zinc/06/64/82/564066482.db2.gz	SBSWCNRQRHRKLP-UHFFFAOYSA-N	-1	0	347.197	5.424	40	0		EKABRM
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000008276640	563625499	/nfs/dbraw/zinc/62/54/99/563625499.db2.gz	XSPQCFVVYLTAPN-JMERFSKESA-N	-1	0	339.822	5.173	40	0		EKABRM
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000008276828	563625504	/nfs/dbraw/zinc/62/55/04/563625504.db2.gz	XSPQCFVVYLTAPN-QUJCMNEKSA-N	-1	0	339.822	5.173	40	0		EKABRM
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000008336072	564127215	/nfs/dbraw/zinc/12/72/15/564127215.db2.gz	RJJUJLRQUIQBID-NJSLBKSFSA-N	-1	0	339.822	5.173	40	0		EKABRM
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000008336102	564127243	/nfs/dbraw/zinc/12/72/43/564127243.db2.gz	RJJUJLRQUIQBID-KSMMKXTCSA-N	-1	0	339.822	5.173	40	0		EKABRM
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000008371314	564127321	/nfs/dbraw/zinc/12/73/21/564127321.db2.gz	CTMGHAOEWKGNPN-JMERFSKESA-N	-1	0	339.822	5.173	40	0		EKABRM
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000008371341	564127323	/nfs/dbraw/zinc/12/73/23/564127323.db2.gz	CTMGHAOEWKGNPN-QUJCMNEKSA-N	-1	0	339.822	5.173	40	0		EKABRM
Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)cc1	ZINC000008371861	564127359	/nfs/dbraw/zinc/12/73/59/564127359.db2.gz	KEXNBXLHFBOLAE-OEAKJJBVSA-N	-1	0	345.398	5.023	40	0		EKABRM
Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000008371929	564127361	/nfs/dbraw/zinc/12/73/61/564127361.db2.gz	BBIMMPGKMQGNGI-OEAKJJBVSA-N	-1	0	345.398	5.023	40	0		EKABRM
Cc1ccccc1/N=C/c1ccc(OCc2ccccc2)c(C(=O)[O-])c1	ZINC000008570868	564127551	/nfs/dbraw/zinc/12/75/51/564127551.db2.gz	GSEFGHPHUDICMR-OEAKJJBVSA-N	-1	0	345.398	5.023	40	0		EKABRM
Cc1ccccc1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000008570904	564127568	/nfs/dbraw/zinc/12/75/68/564127568.db2.gz	HDUIUECGYVXUQL-OEAKJJBVSA-N	-1	0	345.398	5.023	40	0		EKABRM
O=C(C=C([O-])c1ccccc1)C[C@H](Nc1ccccc1)c1ccccc1	ZINC000008627754	563633670	/nfs/dbraw/zinc/63/36/70/563633670.db2.gz	AXZQDTZWPCEZSU-QFIPXVFZSA-N	-1	0	343.426	5.072	40	0		EKABRM
O=C([O-])c1ccc(CNc2ccc(Oc3ccccc3Cl)cc2)o1	ZINC000008702224	210982735	/nfs/dbraw/zinc/98/27/35/210982735.db2.gz	TZCBQOSGYYXRKG-UHFFFAOYSA-N	-1	0	343.766	5.036	40	0		EKABRM
O=C([O-])c1ccc(CNc2ccc(Oc3cccc(Cl)c3)cc2)o1	ZINC000008702225	564016434	/nfs/dbraw/zinc/01/64/34/564016434.db2.gz	WZCUOMSSIYMGHW-UHFFFAOYSA-N	-1	0	343.766	5.036	40	0		EKABRM
COc1cc(C)c(/C=C/C(C)=C\C=C/C(C)=C\C(=O)[O-])c(C)c1C	ZINC000011676998	211233983	/nfs/dbraw/zinc/23/39/83/211233983.db2.gz	IHUNBGSDBOWDMA-DVBWTUNVSA-N	-1	0	326.436	5.167	40	0		EKABRM
COc1cc(C)c(/C=C\C(C)=C\C=C/C(C)=C\C(=O)[O-])c(C)c1C	ZINC000011677004	211233373	/nfs/dbraw/zinc/23/33/73/211233373.db2.gz	IHUNBGSDBOWDMA-PAGWLINDSA-N	-1	0	326.436	5.167	40	0		EKABRM
CC(/C=C/C1=C(C)CCCC1(C)C)=C/C=C\c1ccc(C(=O)[O-])cc1	ZINC000011681809	563650417	/nfs/dbraw/zinc/65/04/17/563650417.db2.gz	YRNAHKPMDMVFMV-VBAYWHJYSA-N	-1	0	336.475	6.427	40	0		EKABRM
O=C([O-])c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21	ZINC000011883977	211264859	/nfs/dbraw/zinc/26/48/59/211264859.db2.gz	LCMLLLKOESTOKZ-UHFFFAOYSA-N	-1	0	347.197	5.424	40	0		EKABRM
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)[O-]	ZINC000012495672	211393974	/nfs/dbraw/zinc/39/39/74/211393974.db2.gz	TWSWSIQAPQLDBP-CGRWFSSPSA-N	-1	0	332.528	6.997	40	0	in-vivo	EKABRM
CC/C=C/C/C=C/C/C=C/CCCCCCCCCCCC(=O)[O-]	ZINC000012496034	211393323	/nfs/dbraw/zinc/39/33/23/211393323.db2.gz	WBBQTNCISCKUMU-IUQGRGSQSA-N	-1	0	334.544	7.221	40	0	in-vivo	EKABRM
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C\C(=O)[O-])c(C)c1C	ZINC000012496045	211393412	/nfs/dbraw/zinc/39/34/12/211393412.db2.gz	IHUNBGSDBOWDMA-UGOGCBOOSA-N	-1	0	326.436	5.167	40	0	endogenous,world	EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)[O-]	ZINC000012503900	211394750	/nfs/dbraw/zinc/39/47/50/211394750.db2.gz	MBMBGCFOFBJSGT-SFGLVEFQSA-N	-1	0	328.496	6.549	40	0	in-vitro	EKABRM
O=C([O-])c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1	ZINC000013423228	563924634	/nfs/dbraw/zinc/92/46/34/563924634.db2.gz	FIKXOEFBVYQPAP-UHFFFAOYSA-N	-1	0	349.572	5.063	40	0		EKABRM
COc1cc(C)c(/C=C\C(C)=C/C=C\C(C)=C/C(=O)[O-])c(C)c1C	ZINC000013544585	563700799	/nfs/dbraw/zinc/70/07/99/563700799.db2.gz	IHUNBGSDBOWDMA-KDUUDVEESA-N	-1	0	326.436	5.167	40	0		EKABRM
CC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCC(=O)[O-]	ZINC000014449053	563759767	/nfs/dbraw/zinc/75/97/67/563759767.db2.gz	DDCYKEYDTGCKAS-ZNNDKXMZSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCC(=O)[O-]	ZINC000014449055	564087274	/nfs/dbraw/zinc/08/72/74/564087274.db2.gz	DDCYKEYDTGCKAS-FXITVLLRSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000014449063	563759757	/nfs/dbraw/zinc/75/97/57/563759757.db2.gz	ZNEBXONKCYFJAF-OUKOMXQNSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
O=C([O-])CCCCCCCCCCCCCCCCCCCO	ZINC000014449691	564087288	/nfs/dbraw/zinc/08/72/88/564087288.db2.gz	JLDIWYKSFMPIDW-UHFFFAOYSA-N	-1	0	328.537	6.085	40	0	in-vitro	EKABRM
CC[C@@H](C)CCCCCCCCCCCCCCCCC(=O)[O-]	ZINC000014591163	211746256	/nfs/dbraw/zinc/74/62/56/211746256.db2.gz	WSRCOZWDQPJAQT-HXUWFJFHSA-N	-1	0	326.565	7.359	40	0	in-vitro	EKABRM
CC[C@H](C)CCCCCCCCCCCCCCCCC(=O)[O-]	ZINC000014591164	211746617	/nfs/dbraw/zinc/74/66/17/211746617.db2.gz	WSRCOZWDQPJAQT-FQEVSTJZSA-N	-1	0	326.565	7.359	40	0	in-vitro	EKABRM
O=C([O-])CCCCCCCCCCCCCCCc1ccccc1	ZINC000014651907	563762345	/nfs/dbraw/zinc/76/23/45/563762345.db2.gz	MFCNMXMQLKDGPQ-UHFFFAOYSA-N	-1	0	332.528	6.775	40	0		EKABRM
Cc1ccc(C)n1-c1sc2c(c1C(=O)[O-])CC[C@H](C(C)(C)C)C2	ZINC000015014553	564023931	/nfs/dbraw/zinc/02/39/31/564023931.db2.gz	VFNYFRDGPDCXBL-ZDUSSCGKSA-N	-1	0	331.481	5.005	40	0		EKABRM
Cc1ccc(C)n1-c1sc2c(c1C(=O)[O-])CC[C@@H](C(C)(C)C)C2	ZINC000015014554	211788647	/nfs/dbraw/zinc/78/86/47/211788647.db2.gz	VFNYFRDGPDCXBL-CYBMUJFWSA-N	-1	0	331.481	5.005	40	0		EKABRM
CC/C=C/CC/C=C/C/C=C/CC/C=C\CC/C=C/CCC(=O)[O-]	ZINC000015122329	563778675	/nfs/dbraw/zinc/77/86/75/563778675.db2.gz	PIFPCDRPHCQLSJ-LPGXCYTKSA-N	-1	0	330.512	6.773	40	0	endogenous,in-man	EKABRM
CC/C=C/C/C=C\C/C=C/CCCCCCCCCCCC(=O)[O-]	ZINC000015122334	563778816	/nfs/dbraw/zinc/77/88/16/563778816.db2.gz	WBBQTNCISCKUMU-BXPSWRNBSA-N	-1	0	334.544	7.221	40	0		EKABRM
CC(C)(CCCCCCCCCCCCc1ccccc1)CC(=O)[O-]	ZINC000016124375	211886802	/nfs/dbraw/zinc/88/68/02/211886802.db2.gz	IIXIPDOWHXYAKB-UHFFFAOYSA-N	-1	0	346.555	7.021	40	0		EKABRM
C[C@@H](CCCCCCCCCCCCc1ccccc1)CC(=O)[O-]	ZINC000016124378	563803996	/nfs/dbraw/zinc/80/39/96/563803996.db2.gz	GETJXADZUDOMNR-FQEVSTJZSA-N	-1	0	332.528	6.631	40	0		EKABRM
C[C@H](CCCCCCCCCCCCc1ccccc1)CC(=O)[O-]	ZINC000016124381	211886668	/nfs/dbraw/zinc/88/66/68/211886668.db2.gz	GETJXADZUDOMNR-HXUWFJFHSA-N	-1	0	332.528	6.631	40	0		EKABRM
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1SCC(=O)[O-]	ZINC000016249277	563806738	/nfs/dbraw/zinc/80/67/38/563806738.db2.gz	ZSHMJLYVWPSMQD-UHFFFAOYSA-N	-1	0	343.835	5.040	40	0		EKABRM
COc1ccc(N(c2ccc(C(=O)[O-])s2)c2ccc(C)cc2)cc1	ZINC000016292614	563807779	/nfs/dbraw/zinc/80/77/79/563807779.db2.gz	YZEKWLYRFPDXER-UHFFFAOYSA-N	-1	0	339.416	5.233	40	0		EKABRM
O=C([O-])c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)s1	ZINC000016487894	563813315	/nfs/dbraw/zinc/81/33/15/563813315.db2.gz	MPRRTHHFMUIPPY-UHFFFAOYSA-N	-1	0	345.423	6.069	40	0		EKABRM
O=C([O-])c1ccc(N(c2ccccc2)c2cccc3ccccc32)s1	ZINC000016487951	563813312	/nfs/dbraw/zinc/81/33/12/563813312.db2.gz	CXCCKLWMWYNLNY-UHFFFAOYSA-N	-1	0	345.423	6.069	40	0		EKABRM
CCCC[C@@H](CC)CCC(CC[C@@H](CC)CCCC)S(=O)(=O)[O-]	ZINC000017146877	563838564	/nfs/dbraw/zinc/83/85/64/563838564.db2.gz	OVFSRTCHWHAQPF-DFNIBXOVSA-N	-1	0	348.593	6.236	40	0		EKABRM
C[C@H](CC(=O)[O-])C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000017380417	211967917	/nfs/dbraw/zinc/96/79/17/211967917.db2.gz	FNVPWJCKNPMUII-GOSISDBHSA-N	-1	0	330.427	5.132	40	0		EKABRM
Cc1nc(Nc2ccccc2Sc2ccccc2)sc1C(=O)[O-]	ZINC000020156578	212107642	/nfs/dbraw/zinc/10/76/42/212107642.db2.gz	NJQJUPNLBPRYBX-UHFFFAOYSA-N	-1	0	342.445	5.045	40	0		EKABRM
O=C([O-])c1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1	ZINC000020242176	564128162	/nfs/dbraw/zinc/12/81/62/564128162.db2.gz	DSCWJMARLIPDJW-HYARGMPZSA-N	-1	0	347.439	5.428	40	0		EKABRM
O=C([O-])c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1	ZINC000020242200	564128185	/nfs/dbraw/zinc/12/81/85/564128185.db2.gz	YWUWNQNFZVHNMS-HYARGMPZSA-N	-1	0	347.439	5.428	40	0		EKABRM
Cc1ccc2nc(C(=O)[O-])cc(Nc3cccc(C(F)(F)F)c3)c2c1	ZINC000021657771	212237476	/nfs/dbraw/zinc/23/74/76/212237476.db2.gz	PXGYLHZYKARZSM-UHFFFAOYSA-N	-1	0	346.308	5.004	40	0		EKABRM
CCOc1ccc(C(=O)[O-])cc1COc1ccc(-c2ccccc2)cc1	ZINC000024549592	202117052	/nfs/dbraw/zinc/11/70/52/202117052.db2.gz	DXIFYYXTYOHRMJ-UHFFFAOYSA-N	-1	0	348.398	5.030	40	0		EKABRM
CC/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000027638928	564133576	/nfs/dbraw/zinc/13/35/76/564133576.db2.gz	BCTXZWCPBLWCRV-QCAYAECISA-N	-1	0	344.495	5.760	40	0	endogenous,in-man	EKABRM
CC[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000027638954	564133595	/nfs/dbraw/zinc/13/35/95/564133595.db2.gz	OSXOPUBJJDUAOJ-MWEXLPNRSA-N	-1	0	344.495	5.760	40	0	endogenous,in-man	EKABRM
CCCCC[C@H](O)/C=C/[C@H]1CC2CC(C2)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000027642723	212570195	/nfs/dbraw/zinc/57/01/95/212570195.db2.gz	ZIWNJZLXPXFNGN-GXTQQWMXSA-N	-1	0	348.527	5.347	40	0	in-vitro	EKABRM
CC/C=C\C[C@@H](O)/C=C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000027643284	563897937	/nfs/dbraw/zinc/89/79/37/563897937.db2.gz	SWTYBBUBEPPYCX-RRQCUPCBSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C[C@H](O)/C=C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000027643291	202158410	/nfs/dbraw/zinc/15/84/10/202158410.db2.gz	SWTYBBUBEPPYCX-BXCUTBNQSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCC(=O)[O-]	ZINC000028135475	202165427	/nfs/dbraw/zinc/16/54/27/202165427.db2.gz	IFRKCNPQVIJFAQ-HBUOOPIGSA-N	-1	0	344.495	5.520	40	0	in-vivo	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCC(=O)[O-]	ZINC000028135480	564150424	/nfs/dbraw/zinc/15/04/24/564150424.db2.gz	IFRKCNPQVIJFAQ-SQVNIFJQSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000028342223	563902570	/nfs/dbraw/zinc/90/25/70/563902570.db2.gz	GGTVEFDAPOKWMQ-KUBAVDMBSA-N	-1	0	342.523	6.939	40	0		EKABRM
CC/C=C/C/C=C\C/C=C\CCCCCCCCCCCC(=O)[O-]	ZINC000031261540	563912285	/nfs/dbraw/zinc/91/22/85/563912285.db2.gz	WBBQTNCISCKUMU-NSAMXNATSA-N	-1	0	334.544	7.221	40	0		EKABRM
CC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000032821825	563914303	/nfs/dbraw/zinc/91/43/03/563914303.db2.gz	SWTYBBUBEPPYCX-NGHKTGSUSA-N	-1	0	344.495	5.520	40	0	endogenous,in-man	EKABRM
CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000033954298	564001444	/nfs/dbraw/zinc/00/14/44/564001444.db2.gz	SWTYBBUBEPPYCX-YTQNUIGOSA-N	-1	0	344.495	5.520	40	0	endogenous,in-man	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CCCC(=O)[O-]	ZINC000034532429	564039081	/nfs/dbraw/zinc/03/90/81/564039081.db2.gz	OXENLKNOBTVOJA-JLNKQSITSA-N	-1	0	326.480	5.996	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCC(=O)[O-]	ZINC000034961939	213002742	/nfs/dbraw/zinc/00/27/42/213002742.db2.gz	OZXAIGIRPOOJTI-LULSBUPUSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCC(=O)[O-]	ZINC000034961942	213002585	/nfs/dbraw/zinc/00/25/85/213002585.db2.gz	OZXAIGIRPOOJTI-VPNHEHDPSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000034961944	202282631	/nfs/dbraw/zinc/28/26/31/202282631.db2.gz	YUZXOJOCNGKDNI-IJTNLZTASA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000034961946	213002600	/nfs/dbraw/zinc/00/26/00/213002600.db2.gz	YUZXOJOCNGKDNI-GFGLCNPQSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C=C\[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000035900043	213051858	/nfs/dbraw/zinc/05/18/58/213051858.db2.gz	CSXQXWHAGLIFIH-JMQOUWMPSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000035900044	213051465	/nfs/dbraw/zinc/05/14/65/213051465.db2.gz	CSXQXWHAGLIFIH-TUUBNYLKSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCC(=O)[O-]	ZINC000035965875	213053136	/nfs/dbraw/zinc/05/31/36/213053136.db2.gz	LTERDCBCHFKFRI-OUKOMXQNSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCC(=O)[O-]	ZINC000035965877	213052806	/nfs/dbraw/zinc/05/28/06/213052806.db2.gz	LTERDCBCHFKFRI-MBRSJONVSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
COc1cccc(CCCc2cc(C(C)(C)C)ccc2C)c1C(=O)[O-]	ZINC000035973502	202311303	/nfs/dbraw/zinc/31/13/03/202311303.db2.gz	YTJSJDFECJSUFO-UHFFFAOYSA-N	-1	0	340.463	5.175	40	0		EKABRM
CC(C)Oc1cccc(CCc2ccc3ccccc3c2)c1C(=O)[O-]	ZINC000035973661	202312189	/nfs/dbraw/zinc/31/21/89/202312189.db2.gz	FCYLNKWTDYIPLJ-UHFFFAOYSA-N	-1	0	334.415	5.110	40	0		EKABRM
CC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\CCC(=O)[O-]	ZINC000035979228	213053187	/nfs/dbraw/zinc/05/31/87/213053187.db2.gz	YYZNJWZRJUGQCW-VABGYXHOSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\CCC(=O)[O-]	ZINC000035979230	213053069	/nfs/dbraw/zinc/05/30/69/213053069.db2.gz	YYZNJWZRJUGQCW-RQQXGUOYSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\CCC(=O)[O-]	ZINC000035979232	213052389	/nfs/dbraw/zinc/05/23/89/213052389.db2.gz	YYZNJWZRJUGQCW-QBEJVNRSSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCC(=O)[O-]	ZINC000035979234	213053357	/nfs/dbraw/zinc/05/33/57/213053357.db2.gz	YYZNJWZRJUGQCW-IJVXPCIKSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
Cc1ccc(C)c(-n2c(=S)[n-]nc2C23CC4CC(CC(C4)C2)C3)c1	ZINC000036611306	563779217	/nfs/dbraw/zinc/77/92/17/563779217.db2.gz	HEFFKFALXLYTQG-UHFFFAOYSA-N	-1	0	339.508	5.015	40	0		EKABRM
CC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000038224013	213206936	/nfs/dbraw/zinc/20/69/36/213206936.db2.gz	DCFKVKFLEPMEGT-VABGYXHOSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000038224015	213206322	/nfs/dbraw/zinc/20/63/22/213206322.db2.gz	DCFKVKFLEPMEGT-RQQXGUOYSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000038224017	213206920	/nfs/dbraw/zinc/20/69/20/213206920.db2.gz	DCFKVKFLEPMEGT-QBEJVNRSSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)[O-]	ZINC000038224019	213206883	/nfs/dbraw/zinc/20/68/83/213206883.db2.gz	DCFKVKFLEPMEGT-IJVXPCIKSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CCCCC[C@H](O)/C=C/[C@@H]1CC2CC(C2)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000039159485	213231519	/nfs/dbraw/zinc/23/15/19/213231519.db2.gz	ZIWNJZLXPXFNGN-YBOIJMIOSA-N	-1	0	348.527	5.347	40	0		EKABRM
O=C([O-])c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl	ZINC000041127223	201090013	/nfs/dbraw/zinc/09/00/13/201090013.db2.gz	HJTIEPDBGMBRKZ-UHFFFAOYSA-N	-1	0	342.565	5.153	40	0		EKABRM
CC(C)(C)OC(=O)Nc1cc(-c2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000044563529	563926497	/nfs/dbraw/zinc/92/64/97/563926497.db2.gz	ODXCYRWPSRJVGU-UHFFFAOYSA-N	-1	0	347.798	5.052	40	0		EKABRM
O=C([O-])c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1	ZINC000045919917	564091021	/nfs/dbraw/zinc/09/10/21/564091021.db2.gz	QWKKJTXMGPIWTM-UHFFFAOYSA-N	-1	0	342.565	5.153	40	0		EKABRM
O=C([O-])c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1	ZINC000045919923	213766239	/nfs/dbraw/zinc/76/62/39/213766239.db2.gz	BHPUFJGXJAMZRO-UHFFFAOYSA-N	-1	0	342.565	5.153	40	0		EKABRM
CCCCc1ccc2nc([N-]c3nc4ccccc4s3)sc2c1	ZINC000057352458	564091559	/nfs/dbraw/zinc/09/15/59/564091559.db2.gz	QBUUYICVVPQZFJ-UHFFFAOYSA-N	-1	0	339.489	5.992	40	0		EKABRM
CCOc1ccc2nc([N-]c3nc4ccccc4s3)sc2c1	ZINC000057352465	201138760	/nfs/dbraw/zinc/13/87/60/201138760.db2.gz	ILFVIZAOVFFHLF-UHFFFAOYSA-N	-1	0	327.434	5.048	40	0		EKABRM
c1ccc(-c2ccc3oc([N-]c4nc5ccccc5s4)nc3c2)cc1	ZINC000057352516	564091572	/nfs/dbraw/zinc/09/15/72/564091572.db2.gz	DAYLTTNQVOILSQ-UHFFFAOYSA-N	-1	0	343.411	5.848	40	0		EKABRM
Clc1ccc2sc([N-]c3nc4ccccc4o3)nc2c1Cl	ZINC000057352533	564091578	/nfs/dbraw/zinc/09/15/78/564091578.db2.gz	DFVXYGXQHYNWAT-UHFFFAOYSA-N	-1	0	336.203	5.488	40	0		EKABRM
Cc1cc2sc([N-]c3nc4cc(C(C)C)ccc4o3)nc2c(N)c1	ZINC000057352562	564091587	/nfs/dbraw/zinc/09/15/87/564091587.db2.gz	AQCIOVIYTWQRQA-UHFFFAOYSA-N	-1	0	338.436	5.195	40	0		EKABRM
CC(C)(C)c1ccc2oc([N-]c3nc4ccc(N)cc4s3)nc2c1	ZINC000057352652	201139820	/nfs/dbraw/zinc/13/98/20/201139820.db2.gz	RXEPNGQVBYNLAK-UHFFFAOYSA-N	-1	0	338.436	5.061	40	0		EKABRM
Cc1cc(N)cc2sc([N-]c3nc4cc(C(C)C)ccc4o3)nc21	ZINC000057352670	564091588	/nfs/dbraw/zinc/09/15/88/564091588.db2.gz	YCZQGDADHAOUKF-UHFFFAOYSA-N	-1	0	338.436	5.195	40	0		EKABRM
Cc1cccc2sc([N-]c3nc4cc(C(C)(C)C)ccc4o3)nc21	ZINC000057352857	201140648	/nfs/dbraw/zinc/14/06/48/201140648.db2.gz	NVFUMTDHZOBAAU-UHFFFAOYSA-N	-1	0	337.448	5.787	40	0		EKABRM
Cc1ccc2nc([N-]c3nc4cc(C(C)(C)C)ccc4o3)sc2c1	ZINC000057352869	201139932	/nfs/dbraw/zinc/13/99/32/201139932.db2.gz	LOKZPIQYXDENKC-UHFFFAOYSA-N	-1	0	337.448	5.787	40	0		EKABRM
Cc1cc2sc([N-]c3nc4cc(Cl)ccc4o3)nc2c(C)c1	ZINC000057352875	564091598	/nfs/dbraw/zinc/09/15/98/564091598.db2.gz	GRTQKCLUBYMYHP-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
Cc1cc2sc([N-]c3nc4cc(C(C)C)ccc4o3)nc2c(C)c1	ZINC000057352880	564091614	/nfs/dbraw/zinc/09/16/14/564091614.db2.gz	VSVOQJIWLMMLOE-UHFFFAOYSA-N	-1	0	337.448	5.921	40	0		EKABRM
CCCCc1ccc2nc([N-]c3nc4cc(C)ccc4o3)sc2c1	ZINC000057352889	564091605	/nfs/dbraw/zinc/09/16/05/564091605.db2.gz	RHTDDCJFBBCPTQ-UHFFFAOYSA-N	-1	0	337.448	5.832	40	0		EKABRM
CCCCc1ccc2nc([N-]c3nc4cccc(C)c4o3)sc2c1	ZINC000057352890	201139979	/nfs/dbraw/zinc/13/99/79/201139979.db2.gz	JEKHTHOJPLYBIX-UHFFFAOYSA-N	-1	0	337.448	5.832	40	0		EKABRM
CCCCc1ccc2nc([N-]c3nc4ccc(C)cc4o3)sc2c1	ZINC000057352891	564091628	/nfs/dbraw/zinc/09/16/28/564091628.db2.gz	QXIIMBMWNXJDQX-UHFFFAOYSA-N	-1	0	337.448	5.832	40	0		EKABRM
CCc1ccc2oc([N-]c3nc4c(cccc4Cl)s3)nc2c1	ZINC000057352902	201140094	/nfs/dbraw/zinc/14/00/94/201140094.db2.gz	NEBAPTYOGLENNE-UHFFFAOYSA-N	-1	0	329.812	5.397	40	0		EKABRM
CC(C)c1ccc2oc([N-]c3nc4c(cccc4Cl)s3)nc2c1	ZINC000057352904	201140765	/nfs/dbraw/zinc/14/07/65/201140765.db2.gz	SMGPGQZHLNBEFG-UHFFFAOYSA-N	-1	0	343.839	5.958	40	0		EKABRM
Clc1ccc2oc([N-]c3nc4c(cccc4Cl)s3)nc2c1	ZINC000057352908	201140191	/nfs/dbraw/zinc/14/01/91/201140191.db2.gz	IAPJKQRHJMVVKE-UHFFFAOYSA-N	-1	0	336.203	5.488	40	0		EKABRM
Cc1ccc2nc([N-]c3nc4c(cccc4Cl)s3)oc2c1C	ZINC000057352911	564091608	/nfs/dbraw/zinc/09/16/08/564091608.db2.gz	PNLIRXFBWNTAKU-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
Cc1cc2nc([N-]c3nc4c(cccc4Cl)s3)oc2c(C)c1	ZINC000057352913	201140728	/nfs/dbraw/zinc/14/07/28/201140728.db2.gz	WXIUDDBIHWXLJI-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
Cc1cc2nc([N-]c3nc4c(cccc4Cl)s3)oc2cc1C	ZINC000057352914	201140736	/nfs/dbraw/zinc/14/07/36/201140736.db2.gz	BBYJHEKWIREVGD-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
Cc1cc2nc([N-]c3nc4cc(Cl)ccc4s3)oc2cc1C	ZINC000057352915	564091607	/nfs/dbraw/zinc/09/16/07/564091607.db2.gz	USLAMVZNOFJDJQ-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
Cc1cc2nc([N-]c3nc4cc(Cl)ccc4s3)oc2c(C)c1	ZINC000057352917	214421883	/nfs/dbraw/zinc/42/18/83/214421883.db2.gz	WAMQUTSAWYXYPH-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
Cc1ccc2nc([N-]c3nc4cc(Cl)ccc4s3)oc2c1C	ZINC000057352918	564091621	/nfs/dbraw/zinc/09/16/21/564091621.db2.gz	ZXTISWJWALLSAS-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
CCc1ccc2oc([N-]c3nc4cc(Cl)ccc4s3)nc2c1	ZINC000057352922	564091623	/nfs/dbraw/zinc/09/16/23/564091623.db2.gz	VEURWFAQNOSPOL-UHFFFAOYSA-N	-1	0	329.812	5.397	40	0		EKABRM
CC(C)c1ccc2oc([N-]c3nc4cc(Cl)ccc4s3)nc2c1	ZINC000057352923	564091612	/nfs/dbraw/zinc/09/16/12/564091612.db2.gz	XLBWCSCWCMNVKF-UHFFFAOYSA-N	-1	0	343.839	5.958	40	0		EKABRM
Clc1ccc2oc([N-]c3nc4cc(Cl)ccc4s3)nc2c1	ZINC000057352926	564091610	/nfs/dbraw/zinc/09/16/10/564091610.db2.gz	IVGHEUAXIIPOGR-UHFFFAOYSA-N	-1	0	336.203	5.488	40	0		EKABRM
Clc1ccc2oc([N-]c3nc4ccc(Cl)cc4s3)nc2c1	ZINC000057352934	201139881	/nfs/dbraw/zinc/13/98/81/201139881.db2.gz	JTEZRBKJQZHMBE-UHFFFAOYSA-N	-1	0	336.203	5.488	40	0		EKABRM
CCc1ccc2oc([N-]c3nc4ccc(Cl)cc4s3)nc2c1	ZINC000057352938	564091620	/nfs/dbraw/zinc/09/16/20/564091620.db2.gz	IEHBHOVDAVJMSV-UHFFFAOYSA-N	-1	0	329.812	5.397	40	0		EKABRM
CC(C)c1ccc2oc([N-]c3nc4ccc(Cl)cc4s3)nc2c1	ZINC000057352939	214421805	/nfs/dbraw/zinc/42/18/05/214421805.db2.gz	MXNYXTZHCZUDQG-UHFFFAOYSA-N	-1	0	343.839	5.958	40	0		EKABRM
Cc1ccc2nc([N-]c3nc4ccc(Cl)cc4s3)oc2c1C	ZINC000057352945	201140682	/nfs/dbraw/zinc/14/06/82/201140682.db2.gz	NUGSXQGIQCZXBN-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
Cc1cc2nc([N-]c3nc4ccc(Cl)cc4s3)oc2c(C)c1	ZINC000057352946	564091609	/nfs/dbraw/zinc/09/16/09/564091609.db2.gz	FVMKPVNYVAOSCN-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
Cc1cc2nc([N-]c3nc4ccc(Cl)cc4s3)oc2cc1C	ZINC000057352947	564091616	/nfs/dbraw/zinc/09/16/16/564091616.db2.gz	LAGLYWGJDWYRCG-UHFFFAOYSA-N	-1	0	329.812	5.451	40	0		EKABRM
CC(C)c1ccc2oc([N-]c3nc4ccc(F)cc4s3)nc2c1	ZINC000057352976	564120325	/nfs/dbraw/zinc/12/03/25/564120325.db2.gz	FRLCQIWLQINYSQ-UHFFFAOYSA-N	-1	0	327.384	5.444	40	0		EKABRM
CC(C)(C)c1ccc2oc([N-]c3nc4ccc(F)cc4s3)nc2c1	ZINC000057352978	564091599	/nfs/dbraw/zinc/09/15/99/564091599.db2.gz	IYIGLGHGAJECKQ-UHFFFAOYSA-N	-1	0	341.411	5.618	40	0		EKABRM
COc1ccc2nc([N-]c3nc4cc(C(C)C)ccc4o3)sc2c1	ZINC000057353000	564091606	/nfs/dbraw/zinc/09/16/06/564091606.db2.gz	IAUVTRXTQXQFTI-UHFFFAOYSA-N	-1	0	339.420	5.313	40	0		EKABRM
CCOc1ccc2nc([N-]c3nc4cc(Cl)ccc4o3)sc2c1	ZINC000057353011	201140768	/nfs/dbraw/zinc/14/07/68/201140768.db2.gz	NDTUGNCRBMRMEL-UHFFFAOYSA-N	-1	0	345.811	5.233	40	0		EKABRM
CCOc1ccc2nc([N-]c3nc4cc(CC)ccc4o3)sc2c1	ZINC000057353019	201140660	/nfs/dbraw/zinc/14/06/60/201140660.db2.gz	KIQWXGKZYYYWCB-UHFFFAOYSA-N	-1	0	339.420	5.142	40	0		EKABRM
CCOc1ccc2nc([N-]c3nc4ccc(C)c(C)c4o3)sc2c1	ZINC000057353026	564091619	/nfs/dbraw/zinc/09/16/19/564091619.db2.gz	JWRZIQLQOPIHCU-UHFFFAOYSA-N	-1	0	339.420	5.197	40	0		EKABRM
CCOc1ccc2nc([N-]c3nc4cc(C)cc(C)c4o3)sc2c1	ZINC000057353027	564091603	/nfs/dbraw/zinc/09/16/03/564091603.db2.gz	ODDXNDHCDJMBJF-UHFFFAOYSA-N	-1	0	339.420	5.197	40	0		EKABRM
CCOc1ccc2nc([N-]c3nc4cc(C)c(C)cc4o3)sc2c1	ZINC000057353029	214421751	/nfs/dbraw/zinc/42/17/51/214421751.db2.gz	CHFYODHYWRZNFW-UHFFFAOYSA-N	-1	0	339.420	5.197	40	0		EKABRM
O=C([O-])c1cc2cc3c(cc2c(-c2cccc4ccccc42)c1)OCO3	ZINC000062702291	257691194	/nfs/dbraw/zinc/69/11/94/257691194.db2.gz	ZCSPWEMEISEPIY-UHFFFAOYSA-N	-1	0	342.350	5.087	40	0		EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)[O-]	ZINC000063772289	564066422	/nfs/dbraw/zinc/06/64/22/564066422.db2.gz	MBMBGCFOFBJSGT-SDFXJYFBSA-N	-1	0	328.496	6.549	40	0	in-vitro	EKABRM
CCCCC/C=C\C/C=C\C/C=C\CCCCCC/C=C/C(=O)[O-]	ZINC000064219884	202812532	/nfs/dbraw/zinc/81/25/32/202812532.db2.gz	PXQLRMOIZUXNST-IXTHVWKNSA-N	-1	0	332.528	6.997	40	0		EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)[O-]	ZINC000064219888	214779339	/nfs/dbraw/zinc/77/93/39/214779339.db2.gz	WCRFRXLBAPIROM-JLNKQSITSA-N	-1	0	344.539	7.163	40	0		EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCC(=O)[O-]	ZINC000064858159	564134118	/nfs/dbraw/zinc/13/41/18/564134118.db2.gz	ZHBVYDMSPDDAKE-DMPDVXFYSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/C=C\CCC(=O)[O-]	ZINC000064858161	564134090	/nfs/dbraw/zinc/13/40/90/564134090.db2.gz	ZHBVYDMSPDDAKE-WKAJDGKKSA-N	-1	0	344.495	5.520	40	0	in-vitro	EKABRM
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@H](O)CC(=O)[O-]	ZINC000071404716	563964313	/nfs/dbraw/zinc/96/43/13/563964313.db2.gz	LINWKSYGMQNQNZ-UAFMIMERSA-N	-1	0	342.564	5.897	40	0		EKABRM
CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@H](O)CC(=O)[O-]	ZINC000071404717	563964314	/nfs/dbraw/zinc/96/43/14/563964314.db2.gz	LINWKSYGMQNQNZ-MTQWCTHYSA-N	-1	0	342.564	5.897	40	0		EKABRM
CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)[C@H](O)CC(=O)[O-]	ZINC000071404719	563964315	/nfs/dbraw/zinc/96/43/15/563964315.db2.gz	LINWKSYGMQNQNZ-IYWMVGAKSA-N	-1	0	342.564	5.897	40	0		EKABRM
CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)[C@H](O)CC(=O)[O-]	ZINC000071404721	203093162	/nfs/dbraw/zinc/09/31/62/203093162.db2.gz	LINWKSYGMQNQNZ-VNTMZGSJSA-N	-1	0	342.564	5.897	40	0		EKABRM
Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2ccc(Cl)c(Cl)c2n1	ZINC000078401690	217048164	/nfs/dbraw/zinc/04/81/64/217048164.db2.gz	XLVQRFNFQKCNFS-UHFFFAOYSA-N	-1	0	347.201	5.292	40	0		EKABRM
Cc1cc(Nc2cccc(C(=O)[O-])c2)c2ccc(Cl)c(Cl)c2n1	ZINC000078401694	217048009	/nfs/dbraw/zinc/04/80/09/217048009.db2.gz	WOSOHKVDNXDZSS-UHFFFAOYSA-N	-1	0	347.201	5.292	40	0		EKABRM
Cc1cc(Nc2ccccc2C(=O)[O-])c2ccc(Cl)c(Cl)c2n1	ZINC000078401696	217047734	/nfs/dbraw/zinc/04/77/34/217047734.db2.gz	ZZPCKYLESWXEEC-UHFFFAOYSA-N	-1	0	347.201	5.292	40	0		EKABRM
Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cc(Cl)cc(Cl)c2n1	ZINC000078401699	563970524	/nfs/dbraw/zinc/97/05/24/563970524.db2.gz	HROKMCVFCPUBEF-UHFFFAOYSA-N	-1	0	347.201	5.292	40	0		EKABRM
Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cc(Cl)cc(Cl)c2n1	ZINC000078401701	217048081	/nfs/dbraw/zinc/04/80/81/217048081.db2.gz	DQVGDEPBBXQQFD-UHFFFAOYSA-N	-1	0	347.201	5.292	40	0		EKABRM
Cc1cc(Nc2ccccc2C(=O)[O-])c2cc(Cl)cc(Cl)c2n1	ZINC000078401702	217047777	/nfs/dbraw/zinc/04/77/77/217047777.db2.gz	RWSHXALKRPWLBI-UHFFFAOYSA-N	-1	0	347.201	5.292	40	0		EKABRM
Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2c(Cl)cc(Cl)cc2n1	ZINC000078401704	563970527	/nfs/dbraw/zinc/97/05/27/563970527.db2.gz	RIEBYTUPKVBNEY-UHFFFAOYSA-N	-1	0	347.201	5.292	40	0		EKABRM
Cc1cc(Nc2cccc(C(=O)[O-])c2)c2c(Cl)cc(Cl)cc2n1	ZINC000078401707	563970517	/nfs/dbraw/zinc/97/05/17/563970517.db2.gz	KFVXXFHTLDQTPN-UHFFFAOYSA-N	-1	0	347.201	5.292	40	0		EKABRM
Cc1cc(Nc2ccccc2C(=O)[O-])c2c(Cl)cc(Cl)cc2n1	ZINC000078401709	217047767	/nfs/dbraw/zinc/04/77/67/217047767.db2.gz	FWHMUVHURFKKGZ-UHFFFAOYSA-N	-1	0	347.201	5.292	40	0		EKABRM
CC(C)(C)c1cc(Nc2ccccc2C(=O)[O-])c(O)c(C(C)(C)C)c1	ZINC000082048485	563971956	/nfs/dbraw/zinc/97/19/56/563971956.db2.gz	DHSPFFXLOYVPLD-UHFFFAOYSA-N	-1	0	341.451	5.429	40	0		EKABRM
O=C([O-])c1[nH]c2ccccc2c1CCCOc1cccc2ccccc21	ZINC000085224006	563973757	/nfs/dbraw/zinc/97/37/57/563973757.db2.gz	IQTBMDSOBZUIII-UHFFFAOYSA-N	-1	0	345.398	5.031	40	0		EKABRM
O=C([O-])c1sc2cc(Br)c3ccccc3c2c1Cl	ZINC000085391175	563986284	/nfs/dbraw/zinc/98/62/84/563986284.db2.gz	KPELNASRJOXJAQ-UHFFFAOYSA-N	-1	0	341.613	5.169	40	0		EKABRM
O=C([O-])c1c(-c2ccccc2)c(-c2ccccc2)nn1C1CCCCC1	ZINC000090411004	563974869	/nfs/dbraw/zinc/97/48/69/563974869.db2.gz	SVEYZFNKQYCVQD-UHFFFAOYSA-N	-1	0	346.430	5.421	40	0		EKABRM
Cc1cc(C)c(-c2nc(-c3ccccc3)sc2CC(=O)[O-])cc1C	ZINC000095097117	218281072	/nfs/dbraw/zinc/28/10/72/218281072.db2.gz	PBXQTIRWXGKLCY-UHFFFAOYSA-N	-1	0	337.444	5.029	40	0		EKABRM
Cc1cc(C)c(-c2nc(-c3ccccc3)sc2CC(=O)[O-])c(C)c1	ZINC000095097125	218280808	/nfs/dbraw/zinc/28/08/08/218280808.db2.gz	WJSKEGCTCXRAID-UHFFFAOYSA-N	-1	0	337.444	5.029	40	0		EKABRM
CCCC=CC(=O)C=CC=CC/C=C\C/C=C\CCCCCC(=O)[O-]	ZINC000095644646	564036276	/nfs/dbraw/zinc/03/62/76/564036276.db2.gz	PWVSFTLICCBISU-UCMLWGQMSA-N	-1	0	344.495	5.952	40	0	in-vitro	EKABRM
O=C([O-])c1c(C(F)F)nc2ccc(Cl)cc2c1-c1ccccc1	ZINC000096529287	203895160	/nfs/dbraw/zinc/89/51/60/203895160.db2.gz	DULWCKLMWLXXFP-UHFFFAOYSA-N	-1	0	333.721	5.191	40	0		EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCC(=O)[O-]	ZINC000096662615	564066611	/nfs/dbraw/zinc/06/66/11/564066611.db2.gz	YUFFSWGQGVEMMI-XSCOUVMYSA-N	-1	0	330.512	6.773	40	0		EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C=C/[C@H](O)C/C=C/CCC(=O)[O-]	ZINC000098044299	563982225	/nfs/dbraw/zinc/98/22/25/563982225.db2.gz	OZXAIGIRPOOJTI-ABCYKUCNSA-N	-1	0	344.495	5.520	40	0		EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\CCC(=O)[O-]	ZINC000102185971	204034932	/nfs/dbraw/zinc/03/49/32/204034932.db2.gz	OHYKIJBTVXMLKX-JYFGGXQQSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\CCC(=O)[O-]	ZINC000102185975	219189644	/nfs/dbraw/zinc/18/96/44/219189644.db2.gz	OHYKIJBTVXMLKX-WQZYYXEBSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\CCC(=O)[O-]	ZINC000102185977	219189553	/nfs/dbraw/zinc/18/95/53/219189553.db2.gz	OHYKIJBTVXMLKX-AEDOYBSQSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\CCC(=O)[O-]	ZINC000102185982	219189851	/nfs/dbraw/zinc/18/98/51/219189851.db2.gz	OHYKIJBTVXMLKX-PCFNBTQGSA-N	-1	0	344.495	5.760	40	0	in-vitro	EKABRM
CC(/C=C\C1=C(C)CCCC1(C)C)=C/C=C\c1ccc(C(=O)[O-])cc1	ZINC000111380529	564128769	/nfs/dbraw/zinc/12/87/69/564128769.db2.gz	YRNAHKPMDMVFMV-GXQGVMNESA-N	-1	0	336.475	6.427	40	0		EKABRM
CC1(C)C[C@H](c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)[O-])cc21	ZINC000112990880	564129520	/nfs/dbraw/zinc/12/95/20/564129520.db2.gz	MCYNICKTSTXAFH-MRXNPFEDSA-N	-1	0	333.790	5.012	40	0		EKABRM
CC1(C)C[C@@H](c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)[O-])cc21	ZINC000112990881	564129524	/nfs/dbraw/zinc/12/95/24/564129524.db2.gz	MCYNICKTSTXAFH-INIZCTEOSA-N	-1	0	333.790	5.012	40	0		EKABRM
Cc1c(C(=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1Cl	ZINC000149439257	564013318	/nfs/dbraw/zinc/01/33/18/564013318.db2.gz	YDUVGNZXODKEFQ-UHFFFAOYSA-N	-1	0	334.202	5.003	40	0		EKABRM
CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCCCC(=O)[O-]	ZINC000150373387	563991609	/nfs/dbraw/zinc/99/16/09/563991609.db2.gz	TWSWSIQAPQLDBP-LIJGZOPESA-N	-1	0	332.528	6.997	40	0	in-vitro	EKABRM
CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCCCC(=O)[O-]	ZINC000150373392	205575000	/nfs/dbraw/zinc/57/50/00/205575000.db2.gz	TWSWSIQAPQLDBP-BHVWNTRMSA-N	-1	0	332.528	6.997	40	0	in-vitro	EKABRM
O=C([O-])/C=C/c1ccc(OCc2cccc3ccccc32)c(Cl)c1	ZINC000216890267	241218039	/nfs/dbraw/zinc/21/80/39/241218039.db2.gz	KGEVPFJPZAXPPX-PKNBQFBNSA-N	-1	0	338.790	5.170	40	0		EKABRM
Cc1c(C(=O)[O-])c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	ZINC000216948099	241227756	/nfs/dbraw/zinc/22/77/56/241227756.db2.gz	GNAZUYULSQRHHX-UHFFFAOYSA-N	-1	0	334.202	5.003	40	0		EKABRM
Cc1c(C(=O)[O-])c2ccccc2n1Cc1c(Cl)cccc1Cl	ZINC000216948376	241227229	/nfs/dbraw/zinc/22/72/29/241227229.db2.gz	ACROKNSVKNTHHC-UHFFFAOYSA-N	-1	0	334.202	5.003	40	0		EKABRM
CCCN(CCCC(=O)[O-])c1cc(Cl)ccc1Oc1ccccc1	ZINC000225005485	564044351	/nfs/dbraw/zinc/04/43/51/564044351.db2.gz	GEEBGXIFKOIUGB-UHFFFAOYSA-N	-1	0	347.842	5.214	40	0		EKABRM
CCCN(c1cc(Cl)ccc1Oc1ccccc1)[C@@H](CC)C(=O)[O-]	ZINC000225005543	564044319	/nfs/dbraw/zinc/04/43/19/564044319.db2.gz	VUMARMXOZGKUBC-INIZCTEOSA-N	-1	0	347.842	5.212	40	0		EKABRM
Cc1cccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])c1C	ZINC000225022902	564044396	/nfs/dbraw/zinc/04/43/96/564044396.db2.gz	LRNCSBPSWGJLAZ-JOCHJYFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1cccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])c1C	ZINC000225022940	241788880	/nfs/dbraw/zinc/78/88/80/241788880.db2.gz	LRNCSBPSWGJLAZ-QFIPXVFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])c(C)c1	ZINC000225025788	564044400	/nfs/dbraw/zinc/04/44/00/564044400.db2.gz	CJQFGKPZIYPUQP-JOCHJYFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])c(C)c1	ZINC000225025824	241789308	/nfs/dbraw/zinc/78/93/08/241789308.db2.gz	CJQFGKPZIYPUQP-QFIPXVFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1ccc(C)c(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])c1	ZINC000225028529	564044406	/nfs/dbraw/zinc/04/44/06/564044406.db2.gz	HCMCGQUQJAPJIA-JOCHJYFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1ccc(C)c(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])c1	ZINC000225028563	564044395	/nfs/dbraw/zinc/04/43/95/564044395.db2.gz	HCMCGQUQJAPJIA-QFIPXVFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1cccc(C)c1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000225031177	564044426	/nfs/dbraw/zinc/04/44/26/564044426.db2.gz	LAYUZEDLKSKVOU-JOCHJYFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1cccc(C)c1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000225031215	241788142	/nfs/dbraw/zinc/78/81/42/241788142.db2.gz	LAYUZEDLKSKVOU-QFIPXVFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1C	ZINC000225034054	564044420	/nfs/dbraw/zinc/04/44/20/564044420.db2.gz	GZHNNQMUVUPQSU-JOCHJYFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1C	ZINC000225034101	564044441	/nfs/dbraw/zinc/04/44/41/564044441.db2.gz	GZHNNQMUVUPQSU-QFIPXVFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1cc(C)cc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])c1	ZINC000225036901	241787975	/nfs/dbraw/zinc/78/79/75/241787975.db2.gz	QIEYPVMOWNOXSX-JOCHJYFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
Cc1cc(C)cc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])c1	ZINC000225036932	564044432	/nfs/dbraw/zinc/04/44/32/564044432.db2.gz	QIEYPVMOWNOXSX-QFIPXVFZSA-N	-1	0	346.426	5.045	40	0		EKABRM
CC(C)c1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)[O-])cc1	ZINC000225045423	564044508	/nfs/dbraw/zinc/04/45/08/564044508.db2.gz	XSMKCSSHPNWTAW-HXUWFJFHSA-N	-1	0	340.463	5.182	40	0		EKABRM
CC(C)c1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)[O-])cc1	ZINC000225045459	564044499	/nfs/dbraw/zinc/04/44/99/564044499.db2.gz	XSMKCSSHPNWTAW-FQEVSTJZSA-N	-1	0	340.463	5.182	40	0		EKABRM
CC(C)c1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1	ZINC000225045512	564044497	/nfs/dbraw/zinc/04/44/97/564044497.db2.gz	PVIHZRJFJDGNLB-HXUWFJFHSA-N	-1	0	340.463	5.182	40	0		EKABRM
CC(C)c1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1	ZINC000225045551	241790906	/nfs/dbraw/zinc/79/09/06/241790906.db2.gz	PVIHZRJFJDGNLB-FQEVSTJZSA-N	-1	0	340.463	5.182	40	0		EKABRM
CC(C)c1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)[O-])cc1	ZINC000225045892	564044485	/nfs/dbraw/zinc/04/44/85/564044485.db2.gz	MEJYMTXFTNPMFG-HXUWFJFHSA-N	-1	0	326.436	5.008	40	0		EKABRM
CC(C)c1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)[O-])cc1	ZINC000225045938	564044522	/nfs/dbraw/zinc/04/45/22/564044522.db2.gz	MEJYMTXFTNPMFG-FQEVSTJZSA-N	-1	0	326.436	5.008	40	0		EKABRM
CC(C)c1ccc(C[C@@H](Oc2cccc3ccccc32)C(=O)[O-])cc1	ZINC000225046483	564044521	/nfs/dbraw/zinc/04/45/21/564044521.db2.gz	KUOGOUYLWOIVBL-OAQYLSRUSA-N	-1	0	334.415	5.038	40	0		EKABRM
CC(C)c1ccc(C[C@H](Oc2cccc3ccccc32)C(=O)[O-])cc1	ZINC000225046527	241790085	/nfs/dbraw/zinc/79/00/85/241790085.db2.gz	KUOGOUYLWOIVBL-NRFANRHFSA-N	-1	0	334.415	5.038	40	0		EKABRM
CC(C)c1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)[O-])cc1	ZINC000225046591	564044541	/nfs/dbraw/zinc/04/45/41/564044541.db2.gz	ICRMNHLNRSGBMB-OAQYLSRUSA-N	-1	0	334.415	5.038	40	0		EKABRM
CC(C)c1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)[O-])cc1	ZINC000225046637	564044537	/nfs/dbraw/zinc/04/45/37/564044537.db2.gz	ICRMNHLNRSGBMB-NRFANRHFSA-N	-1	0	334.415	5.038	40	0		EKABRM
CC(C)c1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000225046875	564044520	/nfs/dbraw/zinc/04/45/20/564044520.db2.gz	OXJQELSKOWQTQE-QGZVFWFLSA-N	-1	0	334.868	5.251	40	0		EKABRM
CC(C)c1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000225046915	564044539	/nfs/dbraw/zinc/04/45/39/564044539.db2.gz	OXJQELSKOWQTQE-KRWDZBQOSA-N	-1	0	334.868	5.251	40	0		EKABRM
CC(C)(C)c1ccccc1O[C@@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000225048221	564044528	/nfs/dbraw/zinc/04/45/28/564044528.db2.gz	HLDPSOMTVYXINX-NRFANRHFSA-N	-1	0	348.442	5.212	40	0		EKABRM
CC(C)(C)c1ccccc1O[C@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000225048257	564044518	/nfs/dbraw/zinc/04/45/18/564044518.db2.gz	HLDPSOMTVYXINX-OAQYLSRUSA-N	-1	0	348.442	5.212	40	0		EKABRM
CC(C)(C)c1ccc(O[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1	ZINC000225048315	564044531	/nfs/dbraw/zinc/04/45/31/564044531.db2.gz	AYAMDKMXIOTTPT-NRFANRHFSA-N	-1	0	348.442	5.212	40	0		EKABRM
CC(C)(C)c1ccc(O[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1	ZINC000225048347	564044526	/nfs/dbraw/zinc/04/45/26/564044526.db2.gz	AYAMDKMXIOTTPT-OAQYLSRUSA-N	-1	0	348.442	5.212	40	0		EKABRM
CC(C)c1ccccc1O[C@@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000225048706	564044535	/nfs/dbraw/zinc/04/45/35/564044535.db2.gz	SBBXULUQZZQOFX-NRFANRHFSA-N	-1	0	334.415	5.038	40	0		EKABRM
CC(C)c1ccccc1O[C@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000225048751	564044533	/nfs/dbraw/zinc/04/45/33/564044533.db2.gz	SBBXULUQZZQOFX-OAQYLSRUSA-N	-1	0	334.415	5.038	40	0		EKABRM
O=C([O-])[C@@H](Cc1cccc2ccccc21)Oc1cccc2ccccc21	ZINC000225049275	564044523	/nfs/dbraw/zinc/04/45/23/564044523.db2.gz	MEEHEGQLHSQYDE-JOCHJYFZSA-N	-1	0	342.394	5.068	40	0		EKABRM
O=C([O-])[C@H](Cc1cccc2ccccc21)Oc1cccc2ccccc21	ZINC000225049310	241789795	/nfs/dbraw/zinc/78/97/95/241789795.db2.gz	MEEHEGQLHSQYDE-QFIPXVFZSA-N	-1	0	342.394	5.068	40	0		EKABRM
O=C([O-])[C@@H](Cc1cccc2ccccc21)Oc1ccc2ccccc2c1	ZINC000225049362	564044556	/nfs/dbraw/zinc/04/45/56/564044556.db2.gz	IXUZAYQYIWXFEP-JOCHJYFZSA-N	-1	0	342.394	5.068	40	0		EKABRM
O=C([O-])[C@H](Cc1cccc2ccccc21)Oc1ccc2ccccc2c1	ZINC000225049402	564044570	/nfs/dbraw/zinc/04/45/70/564044570.db2.gz	IXUZAYQYIWXFEP-QFIPXVFZSA-N	-1	0	342.394	5.068	40	0		EKABRM
O=C([O-])[C@@H](Cc1cccc2ccccc21)Sc1ccc(Cl)cc1	ZINC000225049553	564044552	/nfs/dbraw/zinc/04/45/52/564044552.db2.gz	KLHLTMCXCXSLFQ-GOSISDBHSA-N	-1	0	342.847	5.281	40	0		EKABRM
O=C([O-])[C@H](Cc1cccc2ccccc21)Sc1ccc(Cl)cc1	ZINC000225049592	564044565	/nfs/dbraw/zinc/04/45/65/564044565.db2.gz	KLHLTMCXCXSLFQ-SFHVURJKSA-N	-1	0	342.847	5.281	40	0		EKABRM
Cc1c(Cl)cccc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)[O-]	ZINC000225070758	564044667	/nfs/dbraw/zinc/04/46/67/564044667.db2.gz	PVHMNQRUWYCREQ-GOSISDBHSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1c(Cl)cccc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)[O-]	ZINC000225070798	564044662	/nfs/dbraw/zinc/04/46/62/564044662.db2.gz	PVHMNQRUWYCREQ-SFHVURJKSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1c(Cl)cccc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000225070850	564044673	/nfs/dbraw/zinc/04/46/73/564044673.db2.gz	QQKMSUKUVWDRTK-GOSISDBHSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1c(Cl)cccc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000225070896	241791922	/nfs/dbraw/zinc/79/19/22/241791922.db2.gz	QQKMSUKUVWDRTK-SFHVURJKSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1c(Cl)cccc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225072209	564044688	/nfs/dbraw/zinc/04/46/88/564044688.db2.gz	DEXNOEKMHOMIAV-OAHLLOKOSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1c(Cl)cccc1C[C@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225072248	241792737	/nfs/dbraw/zinc/79/27/37/241792737.db2.gz	DEXNOEKMHOMIAV-HNNXBMFYSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1cc(Cl)ccc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)[O-]	ZINC000225074173	564044683	/nfs/dbraw/zinc/04/46/83/564044683.db2.gz	MIXYQDGAAVHYHX-GOSISDBHSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1cc(Cl)ccc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)[O-]	ZINC000225074214	564044702	/nfs/dbraw/zinc/04/47/02/564044702.db2.gz	MIXYQDGAAVHYHX-SFHVURJKSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1cc(Cl)ccc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000225074267	564044684	/nfs/dbraw/zinc/04/46/84/564044684.db2.gz	DQNRPFKQSFHCCN-GOSISDBHSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1cc(Cl)ccc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000225074307	564044690	/nfs/dbraw/zinc/04/46/90/564044690.db2.gz	DQNRPFKQSFHCCN-SFHVURJKSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1cc(Cl)ccc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225075620	564044725	/nfs/dbraw/zinc/04/47/25/564044725.db2.gz	ZLKIEVKHWZQEDE-OAHLLOKOSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1cc(Cl)ccc1C[C@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225075660	241792056	/nfs/dbraw/zinc/79/20/56/241792056.db2.gz	ZLKIEVKHWZQEDE-HNNXBMFYSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(Cl)cc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)[O-]	ZINC000225077011	564044732	/nfs/dbraw/zinc/04/47/32/564044732.db2.gz	ZOKFWUSDCNEJRD-GOSISDBHSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1ccc(Cl)cc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)[O-]	ZINC000225077053	564044731	/nfs/dbraw/zinc/04/47/31/564044731.db2.gz	ZOKFWUSDCNEJRD-SFHVURJKSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1ccc(Cl)cc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000225077107	564044705	/nfs/dbraw/zinc/04/47/05/564044705.db2.gz	RAXLQIZMVSOGCF-GOSISDBHSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1ccc(Cl)cc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000225077142	564044708	/nfs/dbraw/zinc/04/47/08/564044708.db2.gz	RAXLQIZMVSOGCF-SFHVURJKSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1ccc(Cl)cc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225078329	564044740	/nfs/dbraw/zinc/04/47/40/564044740.db2.gz	FQRMSXGSYQQJJZ-OAHLLOKOSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(Cl)cc1C[C@H](Sc1ccc(Cl)cc1)C(=O)[O-]	ZINC000225078364	564044735	/nfs/dbraw/zinc/04/47/35/564044735.db2.gz	FQRMSXGSYQQJJZ-HNNXBMFYSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)[O-])cc1Cl	ZINC000225079726	241792340	/nfs/dbraw/zinc/79/23/40/241792340.db2.gz	QSDWYBIEJWHMIO-GOSISDBHSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)[O-])cc1Cl	ZINC000225079766	564044756	/nfs/dbraw/zinc/04/47/56/564044756.db2.gz	QSDWYBIEJWHMIO-SFHVURJKSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1Cl	ZINC000225079823	564044737	/nfs/dbraw/zinc/04/47/37/564044737.db2.gz	AWWGVRKAFNMCHN-GOSISDBHSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1Cl	ZINC000225079860	241792367	/nfs/dbraw/zinc/79/23/67/241792367.db2.gz	AWWGVRKAFNMCHN-SFHVURJKSA-N	-1	0	346.854	5.021	40	0		EKABRM
Cc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1Cl	ZINC000225081074	564044758	/nfs/dbraw/zinc/04/47/58/564044758.db2.gz	AICZLVXWQCLRPX-OAHLLOKOSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1Cl	ZINC000225081105	564044763	/nfs/dbraw/zinc/04/47/63/564044763.db2.gz	AICZLVXWQCLRPX-HNNXBMFYSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)[O-])cc1	ZINC000225083864	241794495	/nfs/dbraw/zinc/79/44/95/241794495.db2.gz	KJPDBJNMKYCUGB-AWEZNQCLSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(S[C@H](Cc2cccc(Cl)c2Cl)C(=O)[O-])cc1	ZINC000225083904	241793982	/nfs/dbraw/zinc/79/39/82/241793982.db2.gz	KJPDBJNMKYCUGB-CQSZACIVSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)[O-])cc1	ZINC000225086654	564044783	/nfs/dbraw/zinc/04/47/83/564044783.db2.gz	MZPQWODLDWJVKP-HNNXBMFYSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)[O-])cc1	ZINC000225086679	564044768	/nfs/dbraw/zinc/04/47/68/564044768.db2.gz	MZPQWODLDWJVKP-OAHLLOKOSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1	ZINC000225089311	241794855	/nfs/dbraw/zinc/79/48/55/241794855.db2.gz	CMCFKJOVCCVMDV-HNNXBMFYSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1	ZINC000225089348	564044810	/nfs/dbraw/zinc/04/48/10/564044810.db2.gz	CMCFKJOVCCVMDV-OAHLLOKOSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1	ZINC000225092076	564044845	/nfs/dbraw/zinc/04/48/45/564044845.db2.gz	STSVXNYVFXWKIN-HNNXBMFYSA-N	-1	0	341.259	5.090	40	0		EKABRM
Cc1ccc(S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1	ZINC000225092118	564044849	/nfs/dbraw/zinc/04/48/49/564044849.db2.gz	STSVXNYVFXWKIN-OAHLLOKOSA-N	-1	0	341.259	5.090	40	0		EKABRM
CCCCc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])cc1	ZINC000225128441	564045090	/nfs/dbraw/zinc/04/50/90/564045090.db2.gz	WEASABHPCUSLJQ-LJQANCHMSA-N	-1	0	346.854	5.066	40	0		EKABRM
CCCCc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])cc1	ZINC000225128480	564045095	/nfs/dbraw/zinc/04/50/95/564045095.db2.gz	WEASABHPCUSLJQ-IBGZPJMESA-N	-1	0	346.854	5.066	40	0		EKABRM
CCCCc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)[O-])cc1	ZINC000225128626	564045084	/nfs/dbraw/zinc/04/50/84/564045084.db2.gz	KIIKMHIUKIYMTK-OAQYLSRUSA-N	-1	0	340.463	5.227	40	0		EKABRM
CCCCc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)[O-])cc1	ZINC000225128660	564045072	/nfs/dbraw/zinc/04/50/72/564045072.db2.gz	KIIKMHIUKIYMTK-NRFANRHFSA-N	-1	0	340.463	5.227	40	0		EKABRM
CCCCc1ccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)[O-])cc1	ZINC000225128983	564045081	/nfs/dbraw/zinc/04/50/81/564045081.db2.gz	QQXUGNJHQKBBMI-OAQYLSRUSA-N	-1	0	340.463	5.029	40	0		EKABRM
CCCCc1ccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)[O-])cc1	ZINC000225129019	564045071	/nfs/dbraw/zinc/04/50/71/564045071.db2.gz	QQXUGNJHQKBBMI-NRFANRHFSA-N	-1	0	340.463	5.029	40	0		EKABRM
CCCCc1ccc(C[C@@H](Oc2cccc3ccccc32)C(=O)[O-])cc1	ZINC000225129177	241801096	/nfs/dbraw/zinc/80/10/96/241801096.db2.gz	WNQQGWUYPBQQJP-JOCHJYFZSA-N	-1	0	348.442	5.257	40	0		EKABRM
CCCCc1ccc(C[C@H](Oc2cccc3ccccc32)C(=O)[O-])cc1	ZINC000225129213	241800711	/nfs/dbraw/zinc/80/07/11/241800711.db2.gz	WNQQGWUYPBQQJP-QFIPXVFZSA-N	-1	0	348.442	5.257	40	0		EKABRM
CCCCc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)[O-])cc1	ZINC000225129265	241801157	/nfs/dbraw/zinc/80/11/57/241801157.db2.gz	XSLDJIMSGMPLRK-JOCHJYFZSA-N	-1	0	348.442	5.257	40	0		EKABRM
CCCCc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)[O-])cc1	ZINC000225129307	564045091	/nfs/dbraw/zinc/04/50/91/564045091.db2.gz	XSLDJIMSGMPLRK-QFIPXVFZSA-N	-1	0	348.442	5.257	40	0		EKABRM
CCCCc1ccc(C[C@@H](Sc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000225129455	564045093	/nfs/dbraw/zinc/04/50/93/564045093.db2.gz	JBXHLFOTIACVCB-LJQANCHMSA-N	-1	0	328.477	5.126	40	0		EKABRM
CCCCc1ccc(C[C@H](Sc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000225129493	564045088	/nfs/dbraw/zinc/04/50/88/564045088.db2.gz	JBXHLFOTIACVCB-IBGZPJMESA-N	-1	0	328.477	5.126	40	0		EKABRM
CCCCc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000225129543	564045104	/nfs/dbraw/zinc/04/51/04/564045104.db2.gz	SJDITWHXCCXIPI-GOSISDBHSA-N	-1	0	348.895	5.471	40	0		EKABRM
CCCCc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000225129583	241800837	/nfs/dbraw/zinc/80/08/37/241800837.db2.gz	SJDITWHXCCXIPI-SFHVURJKSA-N	-1	0	348.895	5.471	40	0		EKABRM
Cc1cc(C)c(C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])c(C)c1	ZINC000225137478	564045160	/nfs/dbraw/zinc/04/51/60/564045160.db2.gz	FWDSTXVNOLWMRX-QGZVFWFLSA-N	-1	0	334.868	5.053	40	0		EKABRM
Cc1cc(C)c(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])c(C)c1	ZINC000225137520	564045139	/nfs/dbraw/zinc/04/51/39/564045139.db2.gz	FWDSTXVNOLWMRX-KRWDZBQOSA-N	-1	0	334.868	5.053	40	0		EKABRM
O=C([O-])c1ccc(CC2CCCCC2)n1Cc1ccc(Cl)cc1	ZINC000226024419	242085439	/nfs/dbraw/zinc/08/54/39/242085439.db2.gz	XVQVJGPWFPMRGV-UHFFFAOYSA-N	-1	0	331.843	5.011	40	0		EKABRM
O=C([O-])c1sc2c(c1Cl)c(C(F)(F)F)ccc2C(F)(F)F	ZINC000228925651	564118140	/nfs/dbraw/zinc/11/81/40/564118140.db2.gz	SGYCEWIAFXIBFP-UHFFFAOYSA-N	-1	0	348.651	5.291	40	0		EKABRM
CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)[C@@H](O)CC(=O)[O-]	ZINC000238791379	564118075	/nfs/dbraw/zinc/11/80/75/564118075.db2.gz	LINWKSYGMQNQNZ-HAGHYFMRSA-N	-1	0	342.564	5.897	40	0		EKABRM
CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)[C@H](O)CC(=O)[O-]	ZINC000248257548	564132066	/nfs/dbraw/zinc/13/20/66/564132066.db2.gz	LINWKSYGMQNQNZ-LWYYNNOASA-N	-1	0	342.564	5.897	40	0		EKABRM
CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)[C@@H](O)CC(=O)[O-]	ZINC000248257550	564132058	/nfs/dbraw/zinc/13/20/58/564132058.db2.gz	LINWKSYGMQNQNZ-MUGJNUQGSA-N	-1	0	342.564	5.897	40	0		EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCC(=O)[O-]	ZINC000255285297	244051433	/nfs/dbraw/zinc/05/14/33/244051433.db2.gz	YUFFSWGQGVEMMI-UUQHCRCUSA-N	-1	0	330.512	6.773	40	0		EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCC(=O)[O-]	ZINC000255285299	244050348	/nfs/dbraw/zinc/05/03/48/244050348.db2.gz	YUFFSWGQGVEMMI-WWMAXSSBSA-N	-1	0	330.512	6.773	40	0		EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCC(=O)[O-]	ZINC000256088337	244067236	/nfs/dbraw/zinc/06/72/36/244067236.db2.gz	MBMBGCFOFBJSGT-JHMRGWINSA-N	-1	0	328.496	6.549	40	0	in-vitro	EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCC(=O)[O-]	ZINC000256088339	244065939	/nfs/dbraw/zinc/06/59/39/244065939.db2.gz	MBMBGCFOFBJSGT-JSSIFUHTSA-N	-1	0	328.496	6.549	40	0	in-vitro	EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C=C/[C@H](O)C/C=C\CCC(=O)[O-]	ZINC000256110939	244066997	/nfs/dbraw/zinc/06/69/97/244066997.db2.gz	OZXAIGIRPOOJTI-MSNMTCSLSA-N	-1	0	344.495	5.520	40	0		EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C=C\[C@H](O)C/C=C\CCC(=O)[O-]	ZINC000256110940	244065579	/nfs/dbraw/zinc/06/55/79/244065579.db2.gz	OZXAIGIRPOOJTI-UIOJSINVSA-N	-1	0	344.495	5.520	40	0		EKABRM
CC/C=C/C/C=C/C/C=C/C/C=C/C=C\[C@H](O)C/C=C/CCC(=O)[O-]	ZINC000256110941	244066878	/nfs/dbraw/zinc/06/68/78/244066878.db2.gz	OZXAIGIRPOOJTI-VYIURRLGSA-N	-1	0	344.495	5.520	40	0		EKABRM
O=C([O-])c1cccc(-c2cccc(Cl)c2)c1OCc1ccccc1	ZINC000257220446	244180140	/nfs/dbraw/zinc/18/01/40/244180140.db2.gz	DKWIGYPSMSWLLB-UHFFFAOYSA-N	-1	0	338.790	5.284	40	0		EKABRM
CC(C)c1nc(Cc2ccccc2)c(C(=O)[O-])cc1-c1ccccc1F	ZINC000257222206	244187965	/nfs/dbraw/zinc/18/79/65/244187965.db2.gz	DSJNIERFXZNZMD-UHFFFAOYSA-N	-1	0	349.405	5.300	40	0		EKABRM
CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)[O-])cc2[C@@H]2O[C@H](C)CC[C@H]21	ZINC000257236553	535368900	/nfs/dbraw/zinc/36/89/00/535368900.db2.gz	HCRVUCDAXYODQA-DYZHCLJRSA-N	-1	0	344.451	5.139	40	0		EKABRM
CCCc1nc(CC2CCCC2)c(C(=O)[O-])cc1-c1ccccc1F	ZINC000257258766	244291654	/nfs/dbraw/zinc/29/16/54/244291654.db2.gz	KVLDDNNEWMCECW-UHFFFAOYSA-N	-1	0	341.426	5.271	40	0		EKABRM
CC(C)c1nc(-c2ccccc2OCc2ccccc2)ccc1C(=O)[O-]	ZINC000257307959	564132435	/nfs/dbraw/zinc/13/24/35/564132435.db2.gz	TUWLKCWMBMPGAF-UHFFFAOYSA-N	-1	0	347.414	5.149	40	0		EKABRM
CC(C)c1nc(CC2CCCC2)c(C(=O)[O-])cc1-c1ccccc1F	ZINC000257325770	564132458	/nfs/dbraw/zinc/13/24/58/564132458.db2.gz	WUJDLXSFXZAXPH-UHFFFAOYSA-N	-1	0	341.426	5.442	40	0		EKABRM
CCCN(c1cc(Cl)ccc1Oc1ccccc1)[C@H](CC)C(=O)[O-]	ZINC000260680854	564132531	/nfs/dbraw/zinc/13/25/31/564132531.db2.gz	VUMARMXOZGKUBC-MRXNPFEDSA-N	-1	0	347.842	5.212	40	0		EKABRM
CCCCC[C@H](O)/C=C/[C@H]1CC[C@@H]2C/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000263617183	564132599	/nfs/dbraw/zinc/13/25/99/564132599.db2.gz	MNUUSJMBYLYXGD-WABHOSQQSA-N	-1	0	334.500	5.101	40	0		EKABRM
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCS(=O)(=O)[O-]	ZINC000299817336	564133139	/nfs/dbraw/zinc/13/31/39/564133139.db2.gz	WOQHFSNWXZHNKW-DOFZRALJSA-N	-1	0	340.529	5.630	40	0	in-vitro	EKABRM
CC/C=C/CC/C=C/C/C=C/CC/C=C\CC/C=C\CCC(=O)[O-]	ZINC000299888584	257917217	/nfs/dbraw/zinc/91/72/17/257917217.db2.gz	PIFPCDRPHCQLSJ-BTZPGZRESA-N	-1	0	330.512	6.773	40	0	endogenous,in-man	EKABRM
CC/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C\CCC(=O)[O-]	ZINC000299888585	257917221	/nfs/dbraw/zinc/91/72/21/257917221.db2.gz	PIFPCDRPHCQLSJ-ZPSNHEDCSA-N	-1	0	330.512	6.773	40	0	endogenous,in-man	EKABRM
CC(/C=C\C1=C(C)CCCC1(C)C)=C/C=C/c1ccc(C(=O)[O-])cc1	ZINC000299888811	257917266	/nfs/dbraw/zinc/91/72/66/257917266.db2.gz	YRNAHKPMDMVFMV-GBCVBALOSA-N	-1	0	336.475	6.427	40	0		EKABRM
CC(/C=C/C1=C(C)CCCC1(C)C)=C/C=C/c1ccc(C(=O)[O-])cc1	ZINC000299888812	257917213	/nfs/dbraw/zinc/91/72/13/257917213.db2.gz	YRNAHKPMDMVFMV-UXOWDCCTSA-N	-1	0	336.475	6.427	40	0		EKABRM
CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)[O-]	ZINC000299888818	564132943	/nfs/dbraw/zinc/13/29/43/564132943.db2.gz	YUZXOJOCNGKDNI-CMRPQLRDSA-N	-1	0	344.495	5.520	40	0		EKABRM
CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCC(=O)[O-]	ZINC000299888819	564132938	/nfs/dbraw/zinc/13/29/38/564132938.db2.gz	YUZXOJOCNGKDNI-UEMRNXMDSA-N	-1	0	344.495	5.520	40	0		EKABRM
CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCC(=O)[O-]	ZINC000299888820	564132961	/nfs/dbraw/zinc/13/29/61/564132961.db2.gz	YUZXOJOCNGKDNI-UWIOHNEFSA-N	-1	0	344.495	5.520	40	0		EKABRM
CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)[O-]	ZINC000299888821	257917225	/nfs/dbraw/zinc/91/72/25/257917225.db2.gz	YUZXOJOCNGKDNI-ZRJVNYMKSA-N	-1	0	344.495	5.520	40	0		EKABRM
[O-]c1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1Cl	ZINC000408610613	563498718	/nfs/dbraw/zinc/49/87/18/563498718.db2.gz	QQAQJJRVMJLHAJ-UHFFFAOYSA-N	-1	0	337.033	5.618	40	0		EKABRM
[O-]c1c(Cl)cc(Br)cc1-c1nc2ccccc2s1	ZINC000409188681	564010828	/nfs/dbraw/zinc/01/08/28/564010828.db2.gz	JSYOTFSPVVWBDA-UHFFFAOYSA-N	-1	0	340.629	5.085	40	0		EKABRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(-c2nc3ccccc3s2)o1	ZINC000409190332	563970903	/nfs/dbraw/zinc/97/09/03/563970903.db2.gz	WZTAZEHDPVDFBS-UHFFFAOYSA-N	-1	0	335.384	5.230	40	0		EKABRM
Cc1c(C(=O)[O-])cccc1-c1ccc(-c2nc3ccccc3s2)o1	ZINC000409190909	563970876	/nfs/dbraw/zinc/97/08/76/563970876.db2.gz	BFLDBPFDYYQCLZ-UHFFFAOYSA-N	-1	0	335.384	5.230	40	0		EKABRM
[O-]c1c(Br)cc(Cl)cc1-c1nc2ccccc2s1	ZINC000409191857	563970879	/nfs/dbraw/zinc/97/08/79/563970879.db2.gz	OXRNSPZFUSOEIA-UHFFFAOYSA-N	-1	0	340.629	5.085	40	0		EKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(-c2nc3ccccc3s2)o1	ZINC000409192684	563970898	/nfs/dbraw/zinc/97/08/98/563970898.db2.gz	FCGPYUSZEZJKIL-UHFFFAOYSA-N	-1	0	335.384	5.230	40	0		EKABRM
CCCc1ccc(-c2ccc(-c3cc(F)c([O-])c(F)c3)c(F)c2)cc1	ZINC000575629543	564084038	/nfs/dbraw/zinc/08/40/38/564084038.db2.gz	IOCVTIALUVYGJF-UHFFFAOYSA-N	-1	0	342.360	6.096	40	0		EKABRM
CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(C(C)C)n1	ZINC000585265130	564081076	/nfs/dbraw/zinc/08/10/76/564081076.db2.gz	HHYLXYMSUKMFHZ-UHFFFAOYSA-N	-1	0	333.815	5.012	40	0		EKABRM
CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(C(C)C)n1	ZINC000585265488	564081065	/nfs/dbraw/zinc/08/10/65/564081065.db2.gz	NDCSNAASIPFUIA-UHFFFAOYSA-N	-1	0	333.815	5.011	40	0		EKABRM
CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CC(C)C)n1	ZINC000585265493	564081056	/nfs/dbraw/zinc/08/10/56/564081056.db2.gz	NDJZCUVZQCZGNE-UHFFFAOYSA-N	-1	0	347.842	5.088	40	0		EKABRM
CC(C)Cc1nc(C(C)C)c(-c2cccc(Cl)c2)cc1C(=O)[O-]	ZINC000585265620	564081057	/nfs/dbraw/zinc/08/10/57/564081057.db2.gz	VFUBXBNBCKDIDQ-UHFFFAOYSA-N	-1	0	331.843	5.422	40	0		EKABRM
CC(C)Cc1nc(CC(C)C)c(-c2cccc(Cl)c2)cc1C(=O)[O-]	ZINC000585265666	564081103	/nfs/dbraw/zinc/08/11/03/564081103.db2.gz	XESJYJOHVITSAD-UHFFFAOYSA-N	-1	0	345.870	5.497	40	0		EKABRM
CCCc1nc(CC(C)C)c(C(=O)[O-])cc1-c1ccc(Cl)cc1	ZINC000585265703	564081093	/nfs/dbraw/zinc/08/10/93/564081093.db2.gz	YMAHYCQMOAVEGW-UHFFFAOYSA-N	-1	0	331.843	5.251	40	0		EKABRM
CC(C)Cc1nc(-c2ccc(Cl)cc2OC(C)C)ccc1C(=O)[O-]	ZINC000585265775	564081086	/nfs/dbraw/zinc/08/10/86/564081086.db2.gz	RHNHMTCZDGOPPV-UHFFFAOYSA-N	-1	0	347.842	5.086	40	0		EKABRM
Cc1c2cc(Cl)ccc2n(Cc2cccc(Cl)c2)c1C(=O)[O-]	ZINC000585266987	564052763	/nfs/dbraw/zinc/05/27/63/564052763.db2.gz	FHFDULTZANOKNM-UHFFFAOYSA-N	-1	0	334.202	5.003	40	0		EKABRM
Cc1c2cccc(Cl)c2n(Cc2cccc(Cl)c2)c1C(=O)[O-]	ZINC000585267104	564081044	/nfs/dbraw/zinc/08/10/44/564081044.db2.gz	HUKMSYMJVILFIN-UHFFFAOYSA-N	-1	0	334.202	5.003	40	0		EKABRM
O=C([O-])CCCCCCCCCCc1ccc(Cl)c(Cl)c1	ZINC000604220547	563933029	/nfs/dbraw/zinc/93/30/29/563933029.db2.gz	NTSLWVHWVFVCPF-UHFFFAOYSA-N	-1	0	331.283	6.131	40	0		EKABRM
CCc1c(=O)c2cc(OCc3ccccc3)ccc2[n-]c1C(F)(F)F	ZINC000685937918	564133300	/nfs/dbraw/zinc/13/33/00/564133300.db2.gz	AYWZSOIVXLBCCA-UHFFFAOYSA-N	-1	0	347.336	5.101	40	0		EKABRM
CC(C)c1c(=O)c2cc(SC(F)(F)F)ccc2[n-]c1C(F)F	ZINC000685938009	564133325	/nfs/dbraw/zinc/13/33/25/564133325.db2.gz	UPXWVKYTNNXPSW-UHFFFAOYSA-N	-1	0	337.313	5.201	40	0		EKABRM
CC(C)c1c(=O)c2cc(OCc3ccccc3)ccc2[n-]c1C(F)F	ZINC000685938010	564133319	/nfs/dbraw/zinc/13/33/19/564133319.db2.gz	UUKSIUZWNCBARM-UHFFFAOYSA-N	-1	0	343.373	5.168	40	0		EKABRM