smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1	ZINC000008217107	560207168	/nfs/dbraw/zinc/20/71/68/560207168.db2.gz	OCLCLRXKNJCOJD-UMMCILCDSA-N	-2	1	353.228	-2.686	10	0	in-vitro,metabolite	FAAEML
O=P([O-])(O)O[P@@](=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000008437137	560209121	/nfs/dbraw/zinc/20/91/21/560209121.db2.gz	VGYGUKCLUFVVQO-VPENINKCSA-N	-3	1	374.068	-1.202	10	0	in-vitro	FAAEML
O=P([O-])(O)O[P@](=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000008437137	560209120	/nfs/dbraw/zinc/20/91/20/560209120.db2.gz	VGYGUKCLUFVVQO-VPENINKCSA-N	-3	1	374.068	-1.202	10	0	in-vitro	FAAEML
O=P([O-])(O)OP(=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000008437137	560209118	/nfs/dbraw/zinc/20/91/18/560209118.db2.gz	VGYGUKCLUFVVQO-VPENINKCSA-N	-3	1	374.068	-1.202	10	0	in-vitro	FAAEML
O=P([O-])(O)OP(=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000008437137	560209116	/nfs/dbraw/zinc/20/91/16/560209116.db2.gz	VGYGUKCLUFVVQO-VPENINKCSA-N	-3	1	374.068	-1.202	10	0	in-vitro	FAAEML
O=P([O-])([O-])O[P@@](=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000008437137	560209114	/nfs/dbraw/zinc/20/91/14/560209114.db2.gz	VGYGUKCLUFVVQO-VPENINKCSA-N	-4	1	374.068	-1.202	10	0	in-vitro	FAAEML
O=P([O-])([O-])O[P@](=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000008437137	560209113	/nfs/dbraw/zinc/20/91/13/560209113.db2.gz	VGYGUKCLUFVVQO-VPENINKCSA-N	-4	1	374.068	-1.202	10	0	in-vitro	FAAEML
O=P([O-])([O-])OP(=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000008437137	560209111	/nfs/dbraw/zinc/20/91/11/560209111.db2.gz	VGYGUKCLUFVVQO-VPENINKCSA-N	-4	1	374.068	-1.202	10	0	in-vitro	FAAEML
Nc1nc2c([n-]c(=O)n2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000012501484	574413064	/nfs/dbraw/zinc/41/30/64/574413064.db2.gz	AQIVLFLYHYFRKU-VPENINKCSA-N	-3	1	363.223	-2.247	10	0	endogenous,in-man	FAAEML
Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@H]2SC1	ZINC000016027482	210234477	/nfs/dbraw/zinc/23/44/77/210234477.db2.gz	YTUNICCSPPTMJY-XUOSJQGZSA-N	-2	1	371.400	-1.446	10	0		FAAEML
NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000034043701	482705742	/nfs/dbraw/zinc/70/57/42/482705742.db2.gz	QGZSAHIZRQHCEQ-QWRGUYRKSA-N	-2	1	353.331	-1.578	10	0		FAAEML
N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000039833657	483691423	/nfs/dbraw/zinc/69/14/23/483691423.db2.gz	HMRAQFJFTOLDKW-GUBZILKMSA-N	-2	1	371.350	-2.809	10	0		FAAEML
O=C([O-])CNc1nc(NCC(=O)[O-])nc(N(CC(=O)[O-])CC(=O)[O-])n1	ZINC000117383251	482549377	/nfs/dbraw/zinc/54/93/77/482549377.db2.gz	AHFNSTUXFRYWDV-UHFFFAOYSA-N	-4	1	358.267	-2.160	10	0		FAAEML
O=C([O-])CNc1nc(NCC(=O)[O-])[nH+]c(N(CC(=O)[O-])CC(=O)[O-])n1	ZINC000117383251	482549373	/nfs/dbraw/zinc/54/93/73/482549373.db2.gz	AHFNSTUXFRYWDV-UHFFFAOYSA-N	-3	1	358.267	-2.160	10	0		FAAEML