smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])(OCC(O)CO[P@](=O)([O-])OC[C@@H](O)CO)OC[C@H](O)CO	ZINC000004096230	560193981	/nfs/dbraw/zinc/19/39/81/560193981.db2.gz	RCBRFGAYXGRKBS-JVHMLUBASA-N	-2	0	400.210	-2.679	1	0	in-vitro	HAAFRL
Nc1ccn([C@H]2O[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000012504415	560212684	/nfs/dbraw/zinc/21/26/84/560212684.db2.gz	ZWIADYZPOWUWEW-GVYWOMJSSA-N	-3	0	403.177	-2.329	1	0	in-vitro	HAAFRL
Nc1nc(=O)n([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)cc1Br	ZINC000012504522	560212802	/nfs/dbraw/zinc/21/28/02/560212802.db2.gz	KOHPTSGPCYTYFB-MNCSTQPFSA-N	-2	0	402.094	-1.684	1	0	in-vitro	HAAFRL
CC(=O)NCC[S@@](=O)C1=C(C(=O)[O-])N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)[O-])[C@@H]2C1	ZINC000013383693	560216037	/nfs/dbraw/zinc/21/60/37/560216037.db2.gz	IXJHZBNZTOAWNU-QIJWGJHTSA-N	-2	0	424.453	-1.004	1	0	in-vitro	HAAFRL
CC(=O)NCC[S@@](=O)C1=C(C(=O)[O-])N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)[O-])[C@H]2C1	ZINC000013383695	560216053	/nfs/dbraw/zinc/21/60/53/560216053.db2.gz	IXJHZBNZTOAWNU-NPYUWCEFSA-N	-2	0	424.453	-1.004	1	0	in-vitro	HAAFRL
CC(=O)NCC[S@@](=O)C1=C(C(=O)[O-])N2C(=O)[C@H](C(C)(C)OS(=O)(=O)[O-])[C@@H]2C1	ZINC000014920459	560227601	/nfs/dbraw/zinc/22/76/01/560227601.db2.gz	IXJHZBNZTOAWNU-AYIRFLAZSA-N	-2	0	424.453	-1.004	1	0	in-vitro	HAAFRL
CC(=O)NCC[S@@](=O)C1=C(C(=O)[O-])N2C(=O)[C@H](C(C)(C)OS(=O)(=O)[O-])[C@H]2C1	ZINC000014920463	560227608	/nfs/dbraw/zinc/22/76/08/560227608.db2.gz	IXJHZBNZTOAWNU-RBFHXTLRSA-N	-2	0	424.453	-1.004	1	0	in-vitro	HAAFRL
O=C([O-])[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](OP)O[C@@H]2C(=O)[O-])[C@H](O)[C@@H](O)[C@H]1P	ZINC000100772452	571815625	/nfs/dbraw/zinc/81/56/25/571815625.db2.gz	FHVDTGUDJYJELY-IPTSUMMUSA-N	-2	0	418.228	-3.515	1	0	endogenous,in-man	HAAFRL
O=C([O-])[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](OP)O[C@@H]2C(=O)[O-])[C@H](O)[C@H](O)[C@H]1P	ZINC000100772453	571815599	/nfs/dbraw/zinc/81/55/99/571815599.db2.gz	FHVDTGUDJYJELY-BNKKHLMPSA-N	-2	0	418.228	-3.515	1	0	endogenous,in-man	HAAFRL
O=C([O-])[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](OP)O[C@@H]2C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1P	ZINC000100772455	571815595	/nfs/dbraw/zinc/81/55/95/571815595.db2.gz	FHVDTGUDJYJELY-ICKTVQMCSA-N	-2	0	418.228	-3.515	1	0	endogenous,in-man	HAAFRL
O=C([O-])[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](OP)O[C@@H]2C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1P	ZINC000100772456	571815617	/nfs/dbraw/zinc/81/56/17/571815617.db2.gz	FHVDTGUDJYJELY-HYZUKYDZSA-N	-2	0	418.228	-3.515	1	0	endogenous,in-man	HAAFRL
O=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](C(=O)[O-])O[C@H](OP)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1P	ZINC000261495865	571861995	/nfs/dbraw/zinc/86/19/95/571861995.db2.gz	FHVDTGUDJYJELY-FLBYQIRISA-N	-2	0	418.228	-3.515	1	0	endogenous,world	HAAFRL
O=C([O-])[C@@H]1O[C@H](OP)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](P)[C@@H](O)[C@H]1O	ZINC000261495866	571862000	/nfs/dbraw/zinc/86/20/00/571862000.db2.gz	FHVDTGUDJYJELY-GEZXFRRNSA-N	-2	0	418.228	-3.515	1	0	endogenous,world	HAAFRL
O=C([O-])[C@@H]1O[C@H](OP)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](P)[C@H](O)[C@H]1O	ZINC000261495867	571861826	/nfs/dbraw/zinc/86/18/26/571861826.db2.gz	FHVDTGUDJYJELY-KDGALUIESA-N	-2	0	418.228	-3.515	1	0	endogenous,world	HAAFRL
O=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](C(=O)[O-])O[C@H](OP)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1P	ZINC000261495868	571861902	/nfs/dbraw/zinc/86/19/02/571861902.db2.gz	FHVDTGUDJYJELY-QXVHXEDUSA-N	-2	0	418.228	-3.515	1	0	endogenous,world	HAAFRL