smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2ccc([O-])cc2occ1-c1ccc(O)c([O-])c1	ZINC000000391976	371603659	/nfs/dbraw/zinc/60/36/59/371603659.db2.gz	DDKGKOOLFLYZDL-UHFFFAOYSA-N	-2	3	270.240	2.577	50	10	endogenous,in-man	CFCAHL
O=c1cc(-c2ccccc2)oc2cc([O-])c(O)c([O-])c12	ZINC000003871633	371820778	/nfs/dbraw/zinc/82/07/78/371820778.db2.gz	FXNFHKRTJBSTCS-UHFFFAOYSA-N	-2	3	270.240	2.577	50	10	aggregator,biogenic,in-vivo	CFCAHL
O=c1cc(-c2ccc([O-])c(O)c2)oc2cc([O-])ccc12	ZINC000006092199	170175034	/nfs/dbraw/zinc/17/50/34/170175034.db2.gz	PVFGJHYLIHMCQD-UHFFFAOYSA-N	-2	3	270.240	2.577	50	10	biogenic,in-vivo	CFCAHL
O=c1c(-c2ccc([O-])cc2)coc2cc([O-])c(O)cc12	ZINC000000391977	371603644	/nfs/dbraw/zinc/60/36/44/371603644.db2.gz	GYLUFQJZYAJQDI-UHFFFAOYSA-N	-2	3	270.240	2.577	50	10	endogenous,in-man	CFCAHL
O=[P@@H]([O-])[C@@H](NCc1ccccc1)c1ccccc1[O-]	ZINC000020518768	372239967	/nfs/dbraw/zinc/23/99/67/372239967.db2.gz	TZZIAOCMNWAYIC-CQSZACIVSA-N	-2	3	277.260	2.648	50	10		CFCAHL
O=[P@H]([O-])[C@@H](NCc1ccccc1)c1ccccc1[O-]	ZINC000020518768	372239974	/nfs/dbraw/zinc/23/99/74/372239974.db2.gz	TZZIAOCMNWAYIC-CQSZACIVSA-N	-2	3	277.260	2.648	50	10		CFCAHL
O=c1c(-c2ccc([O-])cc2)coc2c(O)c([O-])ccc12	ZINC000006093399	170175726	/nfs/dbraw/zinc/17/57/26/170175726.db2.gz	BMZFZTMWBCFKSS-UHFFFAOYSA-N	-2	3	270.240	2.577	50	10	endogenous,in-man	CFCAHL
O=[P@@H]([O-])[C@H](NCc1ccccc1)c1ccccc1[O-]	ZINC000020518771	372238790	/nfs/dbraw/zinc/23/87/90/372238790.db2.gz	TZZIAOCMNWAYIC-AWEZNQCLSA-N	-2	3	277.260	2.648	50	10		CFCAHL
O=[P@H]([O-])[C@H](NCc1ccccc1)c1ccccc1[O-]	ZINC000020518771	372238793	/nfs/dbraw/zinc/23/87/93/372238793.db2.gz	TZZIAOCMNWAYIC-AWEZNQCLSA-N	-2	3	277.260	2.648	50	10		CFCAHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccccc1	ZINC000000285132	371577903	/nfs/dbraw/zinc/57/79/03/371577903.db2.gz	AEQAEFWEYVSCIB-UHFFFAOYSA-N	-2	3	283.736	2.846	50	10		CFCAHL
O=c1cc(-c2ccccc2[O-])oc2c(O)c([O-])ccc12	ZINC000000039319	371514344	/nfs/dbraw/zinc/51/43/44/371514344.db2.gz	JHGZYXRWZXMYBZ-UHFFFAOYSA-N	-2	3	270.240	2.577	50	10		CFCAHL
O=c1cc(-c2ccc([O-])cc2)oc2c(O)c([O-])ccc12	ZINC000000057915	371520030	/nfs/dbraw/zinc/52/00/30/371520030.db2.gz	HJCIUNMVLYBADX-UHFFFAOYSA-N	-2	3	270.240	2.577	50	10		CFCAHL
CC(C)n1[n-]c(=O)c2cc3oc4c(ccc(O)c4[O-])c3nc21	ZINC000085874989	276080894	/nfs/dbraw/zinc/08/08/94/276080894.db2.gz	LPBJZTYJPVHQLU-UHFFFAOYSA-N	-2	3	299.286	2.616	50	10		CFCAHL
O=c1[n-]c(=S)[nH]c([O-])c1N=Nc1ccccc1F	ZINC000013395332	280456574	/nfs/dbraw/zinc/45/65/74/280456574.db2.gz	KNVXCGCHFBXVBM-CCEZHUSRSA-N	-2	3	266.257	2.731	50	10		CFCAHL