smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(CC(C)C)s1	ZINC000066101654	184389998	/nfs/dbraw/zinc/38/99/98/184389998.db2.gz	DCDMCCKVTDICCM-UHFFFAOYSA-N	-1	2	301.304	2.713	1	0		DFAFLM
Cc1nc(-c2ccc([P@](=O)([O-])O)o2)c(CC(C)C)s1	ZINC000066101654	184390000	/nfs/dbraw/zinc/39/00/00/184390000.db2.gz	DCDMCCKVTDICCM-UHFFFAOYSA-N	-1	2	301.304	2.713	1	0		DFAFLM
CCc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(CC(C)C)s1	ZINC000066101958	184389550	/nfs/dbraw/zinc/38/95/50/184389550.db2.gz	JOFOHLDOXMLGST-UHFFFAOYSA-N	-1	2	315.331	2.967	1	0		DFAFLM
CCc1nc(-c2ccc([P@](=O)([O-])O)o2)c(CC(C)C)s1	ZINC000066101958	184389552	/nfs/dbraw/zinc/38/95/52/184389552.db2.gz	JOFOHLDOXMLGST-UHFFFAOYSA-N	-1	2	315.331	2.967	1	0		DFAFLM
Cc1sc(NS(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000003881286	560191224	/nfs/dbraw/zinc/19/12/24/560191224.db2.gz	TUOXKCZHQVZSQB-UHFFFAOYSA-N	-1	2	311.384	2.864	1	0	in-vitro	DFAFLM
C[N@H+]1CCc2ccc(O)c3c2[C@@H]1Cc1cc2c(cc1O3)OCO2	ZINC000030726870	560090770	/nfs/dbraw/zinc/09/07/70/560090770.db2.gz	RUNKBNVIYGVBMW-LBPRGKRZSA-N	-1	2	311.337	2.998	1	0	biogenic,in-vitro	DFAFLM