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(CO)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000001529626	574411175	/nfs/dbraw/zinc/41/11/75/574411175.db2.gz	FNZLKVNUWIIPSJ-WHFBIAKZSA-N	-1	2	230.109	-2.621	50	0	endogenous,in-vivo	BAAALM
O=C(CO)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000001529626	574411174	/nfs/dbraw/zinc/41/11/74/574411174.db2.gz	FNZLKVNUWIIPSJ-WHFBIAKZSA-N	-1	2	230.109	-2.621	50	0	endogenous,in-vivo	BAAALM
O=C(CO)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000001532567	574411209	/nfs/dbraw/zinc/41/12/09/574411209.db2.gz	FNZLKVNUWIIPSJ-UHNVWZDZSA-N	-1	2	230.109	-2.621	50	0	endogenous,in-man	BAAALM
O=C(CO)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000001532567	574411208	/nfs/dbraw/zinc/41/12/08/574411208.db2.gz	FNZLKVNUWIIPSJ-UHNVWZDZSA-N	-1	2	230.109	-2.621	50	0	endogenous,in-man	BAAALM
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(=O)[O-]	ZINC000002384936	342719454	/nfs/dbraw/zinc/71/94/54/342719454.db2.gz	LYCVKHSJGDMDLM-LURJTMIESA-N	-1	2	212.209	-1.520	50	0	endogenous,in-man	BAAALM
NC1=NC(=O)[C@H](CC(=O)NCC(=O)[O-])S1	ZINC000002488977	181338279	/nfs/dbraw/zinc/33/82/79/181338279.db2.gz	QKFXDAWDCWLXSL-VKHMYHEASA-N	-1	2	231.233	-1.466	50	0		BAAALM
NC1=NC(=O)C(CC(=O)NCC(=O)[O-])S1	ZINC000002488977	181338276	/nfs/dbraw/zinc/33/82/76/181338276.db2.gz	QKFXDAWDCWLXSL-VKHMYHEASA-N	-1	2	231.233	-1.466	50	0		BAAALM
NC1=NC(=O)[C@@H](CC(=O)NCC(=O)[O-])S1	ZINC000002488978	181338207	/nfs/dbraw/zinc/33/82/07/181338207.db2.gz	QKFXDAWDCWLXSL-GSVOUGTGSA-N	-1	2	231.233	-1.466	50	0		BAAALM
NC1=NC(=O)C(CC(=O)NCC(=O)[O-])S1	ZINC000002488978	181338201	/nfs/dbraw/zinc/33/82/01/181338201.db2.gz	QKFXDAWDCWLXSL-GSVOUGTGSA-N	-1	2	231.233	-1.466	50	0		BAAALM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000002562340	383976412	/nfs/dbraw/zinc/97/64/12/383976412.db2.gz	XYTKBMAMGDBXPU-BXKVDMCESA-N	-1	2	244.136	-2.423	50	0	in-vitro	BAAALM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000002562340	383976408	/nfs/dbraw/zinc/97/64/08/383976408.db2.gz	XYTKBMAMGDBXPU-BXKVDMCESA-N	-1	2	244.136	-2.423	50	0	in-vitro	BAAALM
O=C([O-])CCc1c(=O)[nH]c(=O)[nH]c1O	ZINC000003208092	182434981	/nfs/dbraw/zinc/43/49/81/182434981.db2.gz	YARSJLGLRSDQOK-UHFFFAOYSA-N	-1	2	200.150	-1.167	50	0		BAAALM
[NH3+]CCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000003801919	574412007	/nfs/dbraw/zinc/41/20/07/574412007.db2.gz	OGSPWJRAVKPPFI-UHFFFAOYSA-N	-1	2	249.096	-1.273	50	0	endogenous,fda	BAAALM
[NH3+]CCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000003801919	574412006	/nfs/dbraw/zinc/41/20/06/574412006.db2.gz	OGSPWJRAVKPPFI-UHFFFAOYSA-N	-1	2	249.096	-1.273	50	0	endogenous,fda	BAAALM
[NH3+]CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000003812862	181369613	/nfs/dbraw/zinc/36/96/13/181369613.db2.gz	WRUUGTRCQOWXEG-UHFFFAOYSA-N	-1	2	235.069	-1.663	50	0	fda	BAAALM
[NH3+]CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000003812862	181369611	/nfs/dbraw/zinc/36/96/11/181369611.db2.gz	WRUUGTRCQOWXEG-UHFFFAOYSA-N	-1	2	235.069	-1.663	50	0	fda	BAAALM
C[C@@](O)(CO)[C@@H](O)CO[P@](=O)([O-])O	ZINC000003869215	342738655	/nfs/dbraw/zinc/73/86/55/342738655.db2.gz	XMWHRVNVKDKBRG-CRCLSJGQSA-N	-1	2	216.126	-1.800	50	0	in-vitro,metabolite	BAAALM
C[C@@](O)(CO)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000003869215	342738654	/nfs/dbraw/zinc/73/86/54/342738654.db2.gz	XMWHRVNVKDKBRG-CRCLSJGQSA-N	-1	2	216.126	-1.800	50	0	in-vitro,metabolite	BAAALM
O=[P@@]([O-])(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1	ZINC000003869830	384031634	/nfs/dbraw/zinc/03/16/34/384031634.db2.gz	KBDKAJNTYKVSEK-VPENINKCSA-N	-1	2	214.110	-1.436	50	0	endogenous,in-man	BAAALM
O=[P@]([O-])(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1	ZINC000003869830	384031629	/nfs/dbraw/zinc/03/16/29/384031629.db2.gz	KBDKAJNTYKVSEK-VPENINKCSA-N	-1	2	214.110	-1.436	50	0	endogenous,in-man	BAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O	ZINC000004096190	384040155	/nfs/dbraw/zinc/04/01/55/384040155.db2.gz	KTVPXOYAKDPRHY-AIHAYLRMSA-N	-1	2	230.109	-2.465	50	0	endogenous,in-man	BAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O	ZINC000004096190	384040148	/nfs/dbraw/zinc/04/01/48/384040148.db2.gz	KTVPXOYAKDPRHY-AIHAYLRMSA-N	-1	2	230.109	-2.465	50	0	endogenous,in-man	BAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O	ZINC000004097095	384039944	/nfs/dbraw/zinc/03/99/44/384039944.db2.gz	UQJFZAAGZAYVKZ-ZXXMMSQZSA-N	-1	2	244.136	-2.075	50	0	in-vitro,metabolite	BAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O	ZINC000004097095	384039939	/nfs/dbraw/zinc/03/99/39/384039939.db2.gz	UQJFZAAGZAYVKZ-ZXXMMSQZSA-N	-1	2	244.136	-2.075	50	0	in-vitro,metabolite	BAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O	ZINC000004097096	384039445	/nfs/dbraw/zinc/03/94/45/384039445.db2.gz	UQJFZAAGZAYVKZ-KAZBKCHUSA-N	-1	2	244.136	-2.075	50	0	in-vivo,metabolite	BAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O	ZINC000004097096	384039438	/nfs/dbraw/zinc/03/94/38/384039438.db2.gz	UQJFZAAGZAYVKZ-KAZBKCHUSA-N	-1	2	244.136	-2.075	50	0	in-vivo,metabolite	BAAALM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O	ZINC000004228241	384047229	/nfs/dbraw/zinc/04/72/29/384047229.db2.gz	KTVPXOYAKDPRHY-TXICZTDVSA-N	-1	2	230.109	-2.465	50	0	endogenous,in-man	BAAALM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O	ZINC000004228241	384047224	/nfs/dbraw/zinc/04/72/24/384047224.db2.gz	KTVPXOYAKDPRHY-TXICZTDVSA-N	-1	2	230.109	-2.465	50	0	endogenous,in-man	BAAALM
O=[P@@]([O-])(O)OC[C@H](O)[C@H](O)CO	ZINC000005975509	537869851	/nfs/dbraw/zinc/86/98/51/537869851.db2.gz	QRDCEYBRRFPBMZ-DMTCNVIQSA-N	-1	2	202.099	-2.190	50	0	in-vitro	BAAALM
O=[P@]([O-])(O)OC[C@H](O)[C@H](O)CO	ZINC000005975509	537869843	/nfs/dbraw/zinc/86/98/43/537869843.db2.gz	QRDCEYBRRFPBMZ-DMTCNVIQSA-N	-1	2	202.099	-2.190	50	0	in-vitro	BAAALM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000013516910	384363251	/nfs/dbraw/zinc/36/32/51/384363251.db2.gz	XYTKBMAMGDBXPU-AZGQCCRYSA-N	-1	2	244.136	-2.423	50	0	in-vitro	BAAALM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000013516910	384363245	/nfs/dbraw/zinc/36/32/45/384363245.db2.gz	XYTKBMAMGDBXPU-AZGQCCRYSA-N	-1	2	244.136	-2.423	50	0	in-vitro	BAAALM
[NH3+]CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000020479814	181357466	/nfs/dbraw/zinc/35/74/66/181357466.db2.gz	YUEFGDDCJLELFH-UHFFFAOYSA-N	-1	2	205.043	-1.373	50	0		BAAALM
[NH3+]CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000020479814	181357465	/nfs/dbraw/zinc/35/74/65/181357465.db2.gz	YUEFGDDCJLELFH-UHFFFAOYSA-N	-1	2	205.043	-1.373	50	0		BAAALM
NC(N)=[NH+]Nc1cc(C(=O)[O-])nc(C(=O)[O-])c1	ZINC000025575085	181191485	/nfs/dbraw/zinc/19/14/85/181191485.db2.gz	FGHGBOPRKGUCGL-UHFFFAOYSA-N	-1	2	239.191	-1.290	50	0		BAAALM
[NH3+]CC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000027204470	181358044	/nfs/dbraw/zinc/35/80/44/181358044.db2.gz	VIQIHJVEWLYSEJ-UHFFFAOYSA-N	-1	2	221.042	-2.053	50	0		BAAALM
[NH3+]CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000027204470	181358038	/nfs/dbraw/zinc/35/80/38/181358038.db2.gz	VIQIHJVEWLYSEJ-UHFFFAOYSA-N	-1	2	221.042	-2.053	50	0		BAAALM
O=C(CO)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000030320708	343165956	/nfs/dbraw/zinc/16/59/56/343165956.db2.gz	FNZLKVNUWIIPSJ-RFZPGFLSSA-N	-1	2	230.109	-2.621	50	0	endogenous,in-man	BAAALM
O=C(CO)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000030320708	343165954	/nfs/dbraw/zinc/16/59/54/343165954.db2.gz	FNZLKVNUWIIPSJ-RFZPGFLSSA-N	-1	2	230.109	-2.621	50	0	endogenous,in-man	BAAALM