smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C([O-])=CC(=O)c2ccc3ccccc3c2[O-])cc1	ZINC000100811524	563603063	/nfs/dbraw/zinc/60/30/63/563603063.db2.gz	OFLYODVLPDSQIN-UHFFFAOYSA-N	-2	3	304.345	4.310	50	0		DIAAHL
Cc1ccc([O-])c(C(=O)C=C([O-])c2ccc(C(C)(C)C)cc2)c1	ZINC000004637985	181130715	/nfs/dbraw/zinc/13/07/15/181130715.db2.gz	HNCMBEUSZKMONR-UHFFFAOYSA-N	-2	3	310.393	4.454	50	0		DIAAHL
O=C([O-])Cc1ccccc1Nc1c(Cl)cc([O-])cc1Cl	ZINC000002383046	574411822	/nfs/dbraw/zinc/41/18/22/574411822.db2.gz	KGVXVPRLBMWZLG-UHFFFAOYSA-N	-2	3	312.152	4.070	50	0	endogenous,world	DIAAHL
Cc1cc(C)c(C(=O)C=C([O-])c2ccccc2Cl)c([O-])c1	ZINC000000078615	563214075	/nfs/dbraw/zinc/21/40/75/563214075.db2.gz	PLDZLVPRRLTYPO-UHFFFAOYSA-N	-2	3	302.757	4.118	50	0		DIAAHL
Cc1ccc(C(=O)C=C([O-])c2ccc(C(C)(C)C)cc2)c([O-])c1	ZINC000100637404	563552418	/nfs/dbraw/zinc/55/24/18/563552418.db2.gz	JCGZQMVVCZISGZ-UHFFFAOYSA-N	-2	3	310.393	4.454	50	0		DIAAHL
CC(C)=CCc1cc(-c2coc3cc([O-])ccc3c2=O)ccc1[O-]	ZINC000002570135	563309722	/nfs/dbraw/zinc/30/97/22/563309722.db2.gz	OBGPEBYHGIUFBN-UHFFFAOYSA-N	-2	3	322.360	4.380	50	0	biogenic,in-vitro	DIAAHL
O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2	ZINC000003885079	181052507	/nfs/dbraw/zinc/05/25/07/181052507.db2.gz	RLRNPHISVAQKAJ-ACCUITESSA-N	-2	3	317.344	4.125	50	0		DIAAHL
O=C([O-])c1nc(/C=C/c2cccc([O-])c2)sc1-c1ccccc1	ZINC000095468060	185372000	/nfs/dbraw/zinc/37/20/00/185372000.db2.gz	FIKQVVKPIXFLTG-MDZDMXLPSA-N	-2	3	323.373	4.384	50	0		DIAAHL
CCCCCC(=O)c1c([O-])cc([O-])c(C(=O)CCCCC)c1O	ZINC000013650351	563384185	/nfs/dbraw/zinc/38/41/85/563384185.db2.gz	JRHOSBCIYWDGHN-UHFFFAOYSA-N	-2	3	322.401	4.329	50	0	in-vitro	DIAAHL