smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003581449	574411978	/nfs/dbraw/zinc/41/19/78/574411978.db2.gz	HNECGPFIYSOYHF-JJYYJPOSSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vivo	BAAELL
O=C([O-])[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003581449	574411977	/nfs/dbraw/zinc/41/19/77/574411977.db2.gz	HNECGPFIYSOYHF-JJYYJPOSSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vivo	BAAELL
O=C([O-])C(=O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869290	571683942	/nfs/dbraw/zinc/68/39/42/571683942.db2.gz	MZJFVXDTNBHTKZ-UWTATZPHSA-N	-2	2	214.066	-1.890	10	0	endogenous,in-man	BAAELL
O=C([O-])C(=O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869290	571683940	/nfs/dbraw/zinc/68/39/40/571683940.db2.gz	MZJFVXDTNBHTKZ-UWTATZPHSA-N	-2	2	214.066	-1.890	10	0	endogenous,in-man	BAAELL
O=C([O-])[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000003869894	372081708	/nfs/dbraw/zinc/08/17/08/372081708.db2.gz	ZCZXOHUILRHRQJ-HRFVKAFMSA-N	-2	2	216.082	-2.098	10	0	in-vitro,metabolite	BAAELL
O=C([O-])[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000003869894	372081702	/nfs/dbraw/zinc/08/17/02/372081702.db2.gz	ZCZXOHUILRHRQJ-HRFVKAFMSA-N	-2	2	216.082	-2.098	10	0	in-vitro,metabolite	BAAELL
O=C([O-])[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869895	560190519	/nfs/dbraw/zinc/19/05/19/560190519.db2.gz	ZCZXOHUILRHRQJ-GBXIJSLDSA-N	-2	2	216.082	-2.098	10	0	in-vitro,metabolite	BAAELL
O=C([O-])[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869895	560190518	/nfs/dbraw/zinc/19/05/18/560190518.db2.gz	ZCZXOHUILRHRQJ-GBXIJSLDSA-N	-2	2	216.082	-2.098	10	0	in-vitro,metabolite	BAAELL
O=C([O-])[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000003869896	372082354	/nfs/dbraw/zinc/08/23/54/372082354.db2.gz	ZCZXOHUILRHRQJ-STHAYSLISA-N	-2	2	216.082	-2.098	10	0	in-vivo,metabolite	BAAELL
O=C([O-])[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000003869896	372082350	/nfs/dbraw/zinc/08/23/50/372082350.db2.gz	ZCZXOHUILRHRQJ-STHAYSLISA-N	-2	2	216.082	-2.098	10	0	in-vivo,metabolite	BAAELL
O=C([O-])[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869897	342738580	/nfs/dbraw/zinc/73/85/80/342738580.db2.gz	ZCZXOHUILRHRQJ-PWNYCUMCSA-N	-2	2	216.082	-2.098	10	0	in-vivo,metabolite	BAAELL
O=C([O-])[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869897	342738578	/nfs/dbraw/zinc/73/85/78/342738578.db2.gz	ZCZXOHUILRHRQJ-PWNYCUMCSA-N	-2	2	216.082	-2.098	10	0	in-vivo,metabolite	BAAELL
CNC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000005996273	173320715	/nfs/dbraw/zinc/32/07/15/173320715.db2.gz	UTRWIBWHXZRMIB-UHFFFAOYSA-N	-2	2	205.043	-1.155	10	0		BAAELL
CNC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000005996273	173320713	/nfs/dbraw/zinc/32/07/13/173320713.db2.gz	UTRWIBWHXZRMIB-UHFFFAOYSA-N	-2	2	205.043	-1.155	10	0		BAAELL
O=C([O-])[C@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000012502991	574413031	/nfs/dbraw/zinc/41/30/31/574413031.db2.gz	HNECGPFIYSOYHF-PZGQECOJSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vitro	BAAELL
O=C([O-])[C@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000012502991	574413030	/nfs/dbraw/zinc/41/30/30/574413030.db2.gz	HNECGPFIYSOYHF-PZGQECOJSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vitro	BAAELL
O=C([O-])[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000012502993	574413028	/nfs/dbraw/zinc/41/30/28/574413028.db2.gz	HNECGPFIYSOYHF-BXXZVTAOSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vitro	BAAELL
O=C([O-])[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000012502993	574413027	/nfs/dbraw/zinc/41/30/27/574413027.db2.gz	HNECGPFIYSOYHF-BXXZVTAOSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vitro	BAAELL
O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000012502995	574413049	/nfs/dbraw/zinc/41/30/49/574413049.db2.gz	HNECGPFIYSOYHF-YVZJFKFKSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vitro	BAAELL
O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000012502995	574413048	/nfs/dbraw/zinc/41/30/48/574413048.db2.gz	HNECGPFIYSOYHF-YVZJFKFKSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vitro	BAAELL
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000012502997	574413039	/nfs/dbraw/zinc/41/30/39/574413039.db2.gz	HNECGPFIYSOYHF-FLRLBIABSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vitro	BAAELL
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000012502997	574413037	/nfs/dbraw/zinc/41/30/37/574413037.db2.gz	HNECGPFIYSOYHF-FLRLBIABSA-N	-2	2	246.108	-2.737	10	0	endogenous,in-vitro	BAAELL
COCC[N@H+](CC(=O)[O-])CC(=O)NC(=O)OC	ZINC000049607262	174286537	/nfs/dbraw/zinc/28/65/37/174286537.db2.gz	ULIBIJJILNEWNH-UHFFFAOYSA-N	-2	2	248.235	-1.098	10	0		BAAELL
O=C([O-])[C@@H]1O[C@@H](C(=O)[O-])[C@@H](C(=O)O)[C@H]1C(=O)[O-]	ZINC000100413878	384323123	/nfs/dbraw/zinc/32/31/23/384323123.db2.gz	UFOIOXZLTXNHQH-GJPGBQJBSA-N	-3	2	248.143	-1.675	10	0		BAAELL