smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000004490939	557559386	/nfs/dbraw/zinc/55/93/86/557559386.db2.gz	XCCTYIAWTASOJW-XVFCMESISA-N	-2	1	404.161	-2.618	50	0	endogenous,in-man	HAAAML
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000004490939	557559382	/nfs/dbraw/zinc/55/93/82/557559382.db2.gz	XCCTYIAWTASOJW-XVFCMESISA-N	-2	1	404.161	-2.618	50	0	endogenous,in-man	HAAAML
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000008215624	557776022	/nfs/dbraw/zinc/77/60/22/557776022.db2.gz	ZWIADYZPOWUWEW-XVFCMESISA-N	-2	1	403.177	-2.329	50	0	endogenous,in-man	HAAAML
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000008215624	557776021	/nfs/dbraw/zinc/77/60/21/557776021.db2.gz	ZWIADYZPOWUWEW-XVFCMESISA-N	-2	1	403.177	-2.329	50	0	endogenous,in-man	HAAAML
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000008215882	557776059	/nfs/dbraw/zinc/77/60/59/557776059.db2.gz	UJLXYODCHAELLY-XLPZGREQSA-N	-2	1	402.189	-1.280	50	0	endogenous,in-man	HAAAML
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000008215882	557776057	/nfs/dbraw/zinc/77/60/57/557776057.db2.gz	UJLXYODCHAELLY-XLPZGREQSA-N	-2	1	402.189	-1.280	50	0	endogenous,in-man	HAAAML
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000012504414	558423773	/nfs/dbraw/zinc/42/37/73/558423773.db2.gz	ZWIADYZPOWUWEW-CCXZUQQUSA-N	-2	1	403.177	-2.329	50	0	in-vitro	HAAAML
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000012504414	558423772	/nfs/dbraw/zinc/42/37/72/558423772.db2.gz	ZWIADYZPOWUWEW-CCXZUQQUSA-N	-2	1	403.177	-2.329	50	0	in-vitro	HAAAML
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)n1	ZINC000013548733	560219667	/nfs/dbraw/zinc/21/96/67/560219667.db2.gz	ZWIADYZPOWUWEW-PXBUCIJWSA-N	-2	1	403.177	-2.329	50	0	in-vitro	HAAAML
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)n1	ZINC000013548733	560219666	/nfs/dbraw/zinc/21/96/66/560219666.db2.gz	ZWIADYZPOWUWEW-PXBUCIJWSA-N	-2	1	403.177	-2.329	50	0	in-vitro	HAAAML
O=C([O-])CN1CCC[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CC[N@@H+](CC(=O)[O-])CC1	ZINC000022872577	558518050	/nfs/dbraw/zinc/51/80/50/558518050.db2.gz	WTHDJYYROCOPPR-UHFFFAOYSA-N	-2	1	418.447	-2.064	50	0		HAAAML
O=C([O-])CN1CCC[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CC[N@H+](CC(=O)[O-])CC1	ZINC000022872577	558518048	/nfs/dbraw/zinc/51/80/48/558518048.db2.gz	WTHDJYYROCOPPR-UHFFFAOYSA-N	-2	1	418.447	-2.064	50	0		HAAAML
O=C([O-])CN1CCC[N@@H+](CC(=O)[O-])CCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])CC1	ZINC000022872577	558518046	/nfs/dbraw/zinc/51/80/46/558518046.db2.gz	WTHDJYYROCOPPR-UHFFFAOYSA-N	-2	1	418.447	-2.064	50	0		HAAAML
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000033913782	569357781	/nfs/dbraw/zinc/35/77/81/569357781.db2.gz	ZWIADYZPOWUWEW-YDKYIBAVSA-N	-2	1	403.177	-2.329	50	0	in-vitro	HAAAML
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000033913782	569357779	/nfs/dbraw/zinc/35/77/79/569357779.db2.gz	ZWIADYZPOWUWEW-YDKYIBAVSA-N	-2	1	403.177	-2.329	50	0	in-vitro	HAAAML
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000033979245	558772598	/nfs/dbraw/zinc/77/25/98/558772598.db2.gz	UJLXYODCHAELLY-CSMHCCOUSA-N	-2	1	402.189	-1.280	50	0		HAAAML
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000033979245	558772597	/nfs/dbraw/zinc/77/25/97/558772597.db2.gz	UJLXYODCHAELLY-CSMHCCOUSA-N	-2	1	402.189	-1.280	50	0		HAAAML
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000034323705	569039335	/nfs/dbraw/zinc/03/93/35/569039335.db2.gz	BFCGPYPBXBAJMH-UAKXSSHOSA-N	-2	1	420.160	-3.263	50	0		HAAAML
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000034323705	569039334	/nfs/dbraw/zinc/03/93/34/569039334.db2.gz	BFCGPYPBXBAJMH-UAKXSSHOSA-N	-2	1	420.160	-3.263	50	0		HAAAML
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000040655887	527492217	/nfs/dbraw/zinc/49/22/17/527492217.db2.gz	XCCTYIAWTASOJW-PXBUCIJWSA-N	-2	1	404.161	-2.618	50	0	in-vitro	HAAAML
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000040655887	527492212	/nfs/dbraw/zinc/49/22/12/527492212.db2.gz	XCCTYIAWTASOJW-PXBUCIJWSA-N	-2	1	404.161	-2.618	50	0	in-vitro	HAAAML
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000040655889	527492471	/nfs/dbraw/zinc/49/24/71/527492471.db2.gz	XCCTYIAWTASOJW-YDKYIBAVSA-N	-2	1	404.161	-2.618	50	0	in-vitro	HAAAML
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000040655889	527492466	/nfs/dbraw/zinc/49/24/66/527492466.db2.gz	XCCTYIAWTASOJW-YDKYIBAVSA-N	-2	1	404.161	-2.618	50	0	in-vitro	HAAAML
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000077031760	558999142	/nfs/dbraw/zinc/99/91/42/558999142.db2.gz	KWFLLVVFWHQBFW-UAKXSSHOSA-N	-2	1	419.176	-2.975	50	0		HAAAML
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000077031760	558999141	/nfs/dbraw/zinc/99/91/41/558999141.db2.gz	KWFLLVVFWHQBFW-UAKXSSHOSA-N	-2	1	419.176	-2.975	50	0		HAAAML
Nc1ccn([C@H]2O[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000104864216	569350535	/nfs/dbraw/zinc/35/05/35/569350535.db2.gz	ZWIADYZPOWUWEW-PSQAKQOGSA-N	-2	1	403.177	-2.329	50	0		HAAAML
Nc1ccn([C@H]2O[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000104864216	569350534	/nfs/dbraw/zinc/35/05/34/569350534.db2.gz	ZWIADYZPOWUWEW-PSQAKQOGSA-N	-2	1	403.177	-2.329	50	0		HAAAML
Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1O[P@](=O)([O-])O[P@](=O)([O-])O	ZINC001529361393	1072575627	/nfs/dbraw/zinc/57/56/27/1072575627.db2.gz	KWFLLVVFWHQBFW-TYQACLPBSA-N	-2	1	419.176	-2.732	50	0		HAAAML
Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1O[P@](=O)([O-])O[P@@](=O)([O-])O	ZINC001529361393	1072575623	/nfs/dbraw/zinc/57/56/23/1072575623.db2.gz	KWFLLVVFWHQBFW-TYQACLPBSA-N	-2	1	419.176	-2.732	50	0		HAAAML