smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)c1cc(C(=O)CCC(=O)[O-])ccc1O	ZINC000035923946	181287680	/nfs/dbraw/zinc/28/76/80/181287680.db2.gz	RRQYVNNOPPDDKA-UHFFFAOYSA-N	-1	2	237.211	0.539	1	0		BCAFLM
COc1cccc(C=O)c1O[P@@](=O)([O-])O	ZINC000012503432	175249150	/nfs/dbraw/zinc/24/91/50/175249150.db2.gz	CGEZBCISRKFHLZ-UHFFFAOYSA-N	-1	2	232.128	0.979	1	0	in-vivo	BCAFLM
COc1cccc(C=O)c1O[P@](=O)([O-])O	ZINC000012503432	175249151	/nfs/dbraw/zinc/24/91/51/175249151.db2.gz	CGEZBCISRKFHLZ-UHFFFAOYSA-N	-1	2	232.128	0.979	1	0	in-vivo	BCAFLM
O=C([O-])c1nc(-c2ccco2)[nH]c(=O)c1O	ZINC000003582036	188102018	/nfs/dbraw/zinc/10/20/18/188102018.db2.gz	PAQPHTZYNPKGGZ-UHFFFAOYSA-N	-1	2	222.156	0.434	1	0		BCAFLM
Cc1ncc(O[P@@](=O)([O-])O)c(C)c1O	ZINC000064574058	180169463	/nfs/dbraw/zinc/16/94/63/180169463.db2.gz	UQILZOYLWDDSEG-UHFFFAOYSA-N	-1	2	219.133	0.876	1	0		BCAFLM
Cc1ncc(O[P@](=O)([O-])O)c(C)c1O	ZINC000064574058	180169464	/nfs/dbraw/zinc/16/94/64/180169464.db2.gz	UQILZOYLWDDSEG-UHFFFAOYSA-N	-1	2	219.133	0.876	1	0		BCAFLM
Cc1cc(O)oc2nnc(CC(=O)[O-])c1-2	ZINC000100933923	178204635	/nfs/dbraw/zinc/20/46/35/178204635.db2.gz	IEIDRHWIBSGECV-UHFFFAOYSA-N	-1	2	208.173	0.816	1	0		BCAFLM