smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([O-])c(C(=O)/C=C/c2cccs2)c1	ZINC000005549228	588230503	/nfs/dbraw/zinc/23/05/03/588230503.db2.gz	VCFJMEXLIHFQRQ-FNORWQNLSA-N	-1	1	244.315	3.658	20	30		BHEDMM
Cc1ccsc1/C=C/C(=O)c1ccc([O-])cc1	ZINC000006338470	645434201	/nfs/dbraw/zinc/43/42/01/645434201.db2.gz	QBWIVYNWQHIHLI-VOTSOKGWSA-N	-1	1	244.315	3.658	20	30		BHEDMM
Cc1ccc(/C=C/C(=O)c2ccc([O-])cc2)s1	ZINC000006338478	636054206	/nfs/dbraw/zinc/05/42/06/636054206.db2.gz	NOZMKNVPBABJQK-CMDGGOBGSA-N	-1	1	244.315	3.658	20	30		BHEDMM
CC1(C)CCC/C(=C/c2ccc([O-])c(F)c2)C1=O	ZINC000121336110	585062605	/nfs/dbraw/zinc/06/26/05/585062605.db2.gz	CWYJZLMPUFDCFY-FLIBITNWSA-N	-1	1	248.297	3.694	20	30		BHEDMM
O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccco1	ZINC000130869125	591531331	/nfs/dbraw/zinc/53/13/31/591531331.db2.gz	KWNSPZANAAHMLK-GQCTYLIASA-N	-1	1	248.665	3.535	20	30		BHEDMM
O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccco1	ZINC000255321024	631219194	/nfs/dbraw/zinc/21/91/94/631219194.db2.gz	KWNSPZANAAHMLK-XQRVVYSFSA-N	-1	1	248.665	3.535	20	30		BHEDMM
CC1(C)CCC/C(=C\c2ccc([O-])c(F)c2)C1=O	ZINC000255830818	632744860	/nfs/dbraw/zinc/74/48/60/632744860.db2.gz	CWYJZLMPUFDCFY-DHZHZOJOSA-N	-1	1	248.297	3.694	20	30		BHEDMM
O=C(/C=C/c1ccc([O-])c(F)c1)C1CCCCC1	ZINC000755581506	585301526	/nfs/dbraw/zinc/30/15/26/585301526.db2.gz	NPKGDAKVMFWQAO-SOFGYWHQSA-N	-1	1	248.297	3.694	20	30		BHEDMM
O=C(/C=C\c1ccc([O-])c(F)c1)C1CCCCC1	ZINC000755581514	585301706	/nfs/dbraw/zinc/30/17/06/585301706.db2.gz	NPKGDAKVMFWQAO-VURMDHGXSA-N	-1	1	248.297	3.694	20	30		BHEDMM
Cc1ccc([O-])c(C(=O)/C=C/c2ccsc2)c1	ZINC000757475426	585338411	/nfs/dbraw/zinc/33/84/11/585338411.db2.gz	KFEOYRNGHDDTFB-HWKANZROSA-N	-1	1	244.315	3.658	20	30		BHEDMM
Cc1ccc([O-])c(C(=O)/C=C\c2ccsc2)c1	ZINC000757475428	585338449	/nfs/dbraw/zinc/33/84/49/585338449.db2.gz	KFEOYRNGHDDTFB-HYXAFXHYSA-N	-1	1	244.315	3.658	20	30		BHEDMM
CCON=Cc1cc(Cl)c2ccccc2c1[O-]	ZINC000774589056	585661429	/nfs/dbraw/zinc/66/14/29/585661429.db2.gz	HCGCRBUSNGXACA-UHFFFAOYSA-N	-1	1	249.697	3.569	20	30		BHEDMM
CCCCCCCSc1ncc(C)c(=O)[n-]1	ZINC000849902361	588509127	/nfs/dbraw/zinc/50/91/27/588509127.db2.gz	ZCBVZCAYEKMHQQ-UHFFFAOYSA-N	-1	1	240.372	3.553	20	30		BHEDMM