smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000005809525	372768323	/nfs/dbraw/zinc/76/83/23/372768323.db2.gz	WODABQYEPQRZOS-SLPGGIOYSA-N	-1	2	324.186	-3.051	40	0		DAABLM
Nc1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000005809525	372768332	/nfs/dbraw/zinc/76/83/32/372768332.db2.gz	WODABQYEPQRZOS-SLPGGIOYSA-N	-1	2	324.186	-3.051	40	0		DAABLM
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003870259	373232687	/nfs/dbraw/zinc/23/26/87/373232687.db2.gz	DJJCXFVJDGTHFX-UCVXFZOQSA-N	-1	2	324.182	-2.735	40	0		DAABLM
O=c1ccn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003870259	373232695	/nfs/dbraw/zinc/23/26/95/373232695.db2.gz	DJJCXFVJDGTHFX-UCVXFZOQSA-N	-1	2	324.182	-2.735	40	0		DAABLM
Cc1cn([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000002047010	373309318	/nfs/dbraw/zinc/30/93/18/373309318.db2.gz	GYOZYWVXFNDGLU-GJMOJQLCSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Cc1cn([C@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000002047010	373309329	/nfs/dbraw/zinc/30/93/29/373309329.db2.gz	GYOZYWVXFNDGLU-GJMOJQLCSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Nc1ccn([C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000001785781	373316838	/nfs/dbraw/zinc/31/68/38/373316838.db2.gz	IERHLVCPSMICTF-GVYWOMJSSA-N	-1	2	323.198	-2.446	40	0		DAABLM
Nc1ccn([C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000001785781	373316845	/nfs/dbraw/zinc/31/68/45/373316845.db2.gz	IERHLVCPSMICTF-GVYWOMJSSA-N	-1	2	323.198	-2.446	40	0		DAABLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000005372450	303352889	/nfs/dbraw/zinc/35/28/89/303352889.db2.gz	SDWIOXKHTFOULX-MXSWDONDSA-N	-1	2	324.186	-2.895	40	0	in-vitro,metabolite	DAABLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000005372450	303352893	/nfs/dbraw/zinc/35/28/93/303352893.db2.gz	SDWIOXKHTFOULX-MXSWDONDSA-N	-1	2	324.186	-2.895	40	0	in-vitro,metabolite	DAABLM
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000003870253	181050775	/nfs/dbraw/zinc/05/07/75/181050775.db2.gz	GYOZYWVXFNDGLU-FXQIFTODSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000003870253	181050777	/nfs/dbraw/zinc/05/07/77/181050777.db2.gz	GYOZYWVXFNDGLU-FXQIFTODSA-N	-1	2	322.210	-1.397	40	0		DAABLM
O=c1ccn([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000003869890	181051201	/nfs/dbraw/zinc/05/12/01/181051201.db2.gz	JSRLJPSBLDHEIO-GKROBHDKSA-N	-1	2	308.183	-1.706	40	0		DAABLM
O=c1ccn([C@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000003869890	181051202	/nfs/dbraw/zinc/05/12/02/181051202.db2.gz	JSRLJPSBLDHEIO-GKROBHDKSA-N	-1	2	308.183	-1.706	40	0		DAABLM
Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006523446	181348615	/nfs/dbraw/zinc/34/86/15/181348615.db2.gz	GYOZYWVXFNDGLU-RNJXMRFFSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006523446	181348616	/nfs/dbraw/zinc/34/86/16/181348616.db2.gz	GYOZYWVXFNDGLU-RNJXMRFFSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000008952080	373352690	/nfs/dbraw/zinc/35/26/90/373352690.db2.gz	IERHLVCPSMICTF-YDLFOAGRSA-N	-1	2	323.198	-2.446	40	0		DAABLM
Nc1ccn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000008952080	373352695	/nfs/dbraw/zinc/35/26/95/373352695.db2.gz	IERHLVCPSMICTF-YDLFOAGRSA-N	-1	2	323.198	-2.446	40	0		DAABLM
CC(=O)N[C@H]1[C@H](O)O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000004097101	278182514	/nfs/dbraw/zinc/18/25/14/278182514.db2.gz	BRGMHAYQAZFZDJ-FMDGEEDCSA-N	-1	2	301.188	-2.961	40	0	endogenous,in-man	DAABLM
CC(=O)N[C@H]1[C@H](O)O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000004097101	278182515	/nfs/dbraw/zinc/18/25/15/278182515.db2.gz	BRGMHAYQAZFZDJ-FMDGEEDCSA-N	-1	2	301.188	-2.961	40	0	endogenous,in-man	DAABLM
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003870260	181050740	/nfs/dbraw/zinc/05/07/40/181050740.db2.gz	DJJCXFVJDGTHFX-VXUIKNBNSA-N	-1	2	324.182	-2.735	40	0		DAABLM
O=c1ccn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003870260	181050741	/nfs/dbraw/zinc/05/07/41/181050741.db2.gz	DJJCXFVJDGTHFX-VXUIKNBNSA-N	-1	2	324.182	-2.735	40	0		DAABLM
Nc1nc2c(ncn2COCCO[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000002569523	372764625	/nfs/dbraw/zinc/76/46/25/372764625.db2.gz	KUOAJOVOKFATQE-UHFFFAOYSA-N	-1	2	305.187	-1.215	40	0	in-vitro	DAABLM
Nc1nc2c(ncn2COCCO[P@](=O)([O-])O)c(=O)[nH]1	ZINC000002569523	372764633	/nfs/dbraw/zinc/76/46/33/372764633.db2.gz	KUOAJOVOKFATQE-UHFFFAOYSA-N	-1	2	305.187	-1.215	40	0	in-vitro	DAABLM
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000003870258	372765999	/nfs/dbraw/zinc/76/59/99/372765999.db2.gz	DJJCXFVJDGTHFX-MLQRGLMKSA-N	-1	2	324.182	-2.735	40	0		DAABLM
O=c1ccn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000003870258	372766010	/nfs/dbraw/zinc/76/60/10/372766010.db2.gz	DJJCXFVJDGTHFX-MLQRGLMKSA-N	-1	2	324.182	-2.735	40	0		DAABLM
Nc1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000005809524	372768697	/nfs/dbraw/zinc/76/86/97/372768697.db2.gz	WODABQYEPQRZOS-KCDKBNATSA-N	-1	2	324.186	-3.051	40	0		DAABLM
Nc1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000005809524	372768705	/nfs/dbraw/zinc/76/87/05/372768705.db2.gz	WODABQYEPQRZOS-KCDKBNATSA-N	-1	2	324.186	-3.051	40	0		DAABLM
O=c1ccn([C@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000003869889	373692558	/nfs/dbraw/zinc/69/25/58/373692558.db2.gz	JSRLJPSBLDHEIO-VMHSAVOQSA-N	-1	2	308.183	-1.706	40	0		DAABLM
O=c1ccn([C@H]2C[C@H](O)[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000003869889	373692563	/nfs/dbraw/zinc/69/25/63/373692563.db2.gz	JSRLJPSBLDHEIO-VMHSAVOQSA-N	-1	2	308.183	-1.706	40	0		DAABLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000005372445	181234965	/nfs/dbraw/zinc/23/49/65/181234965.db2.gz	SDWIOXKHTFOULX-PQCXHMBBSA-N	-1	2	324.186	-2.895	40	0	in-vitro,metabolite	DAABLM
NC(=O)c1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000005372445	181234968	/nfs/dbraw/zinc/23/49/68/181234968.db2.gz	SDWIOXKHTFOULX-PQCXHMBBSA-N	-1	2	324.186	-2.895	40	0	in-vitro,metabolite	DAABLM
Cc1cn([C@H]2C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000013514850	372804139	/nfs/dbraw/zinc/80/41/39/372804139.db2.gz	GYOZYWVXFNDGLU-BWZBUEFSSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Cc1cn([C@H]2C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000013514850	372804143	/nfs/dbraw/zinc/80/41/43/372804143.db2.gz	GYOZYWVXFNDGLU-BWZBUEFSSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Nc1ccn([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000003869818	181050613	/nfs/dbraw/zinc/05/06/13/181050613.db2.gz	NCMVOABPESMRCP-GKROBHDKSA-N	-1	2	307.199	-1.417	40	0	in-vivo	DAABLM
Nc1ccn([C@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000003869818	181050616	/nfs/dbraw/zinc/05/06/16/181050616.db2.gz	NCMVOABPESMRCP-GKROBHDKSA-N	-1	2	307.199	-1.417	40	0	in-vivo	DAABLM
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000013523519	372931281	/nfs/dbraw/zinc/93/12/81/372931281.db2.gz	GYOZYWVXFNDGLU-PRJMDXOYSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000013523519	372931290	/nfs/dbraw/zinc/93/12/90/372931290.db2.gz	GYOZYWVXFNDGLU-PRJMDXOYSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Nc1ccn([C@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000003869817	372954677	/nfs/dbraw/zinc/95/46/77/372954677.db2.gz	NCMVOABPESMRCP-VMHSAVOQSA-N	-1	2	307.199	-1.417	40	0		DAABLM
Nc1ccn([C@H]2C[C@H](O)[C@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000003869817	372954681	/nfs/dbraw/zinc/95/46/81/372954681.db2.gz	NCMVOABPESMRCP-VMHSAVOQSA-N	-1	2	307.199	-1.417	40	0		DAABLM
Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000003869482	373233492	/nfs/dbraw/zinc/23/34/92/373233492.db2.gz	IERHLVCPSMICTF-UCVXFZOQSA-N	-1	2	323.198	-2.446	40	0		DAABLM
Nc1ccn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000003869482	373233504	/nfs/dbraw/zinc/23/35/04/373233504.db2.gz	IERHLVCPSMICTF-UCVXFZOQSA-N	-1	2	323.198	-2.446	40	0		DAABLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000001562441	372762624	/nfs/dbraw/zinc/76/26/24/372762624.db2.gz	SDWIOXKHTFOULX-WVBYAZCYSA-N	-1	2	324.186	-2.895	40	0	in-vitro,metabolite	DAABLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000001562441	372762632	/nfs/dbraw/zinc/76/26/32/372762632.db2.gz	SDWIOXKHTFOULX-WVBYAZCYSA-N	-1	2	324.186	-2.895	40	0	in-vitro,metabolite	DAABLM
Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000003869481	372954795	/nfs/dbraw/zinc/95/47/95/372954795.db2.gz	IERHLVCPSMICTF-MLQRGLMKSA-N	-1	2	323.198	-2.446	40	0	in-vitro,metabolite	DAABLM
Nc1ccn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000003869481	372954805	/nfs/dbraw/zinc/95/48/05/372954805.db2.gz	IERHLVCPSMICTF-MLQRGLMKSA-N	-1	2	323.198	-2.446	40	0	in-vitro,metabolite	DAABLM
Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000003869483	373233805	/nfs/dbraw/zinc/23/38/05/373233805.db2.gz	IERHLVCPSMICTF-VXUIKNBNSA-N	-1	2	323.198	-2.446	40	0		DAABLM
Nc1ccn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000003869483	373233816	/nfs/dbraw/zinc/23/38/16/373233816.db2.gz	IERHLVCPSMICTF-VXUIKNBNSA-N	-1	2	323.198	-2.446	40	0		DAABLM
Cn1c([O-])c(-c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O	ZINC000001592958	289791141	/nfs/dbraw/zinc/79/11/41/289791141.db2.gz	UYAUGHMNHZOKNB-UHFFFAOYSA-N	-1	2	310.266	-1.680	40	0		DAABLM
Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000003869480	181050848	/nfs/dbraw/zinc/05/08/48/181050848.db2.gz	IERHLVCPSMICTF-IHBLQFBFSA-N	-1	2	323.198	-2.446	40	0	in-vitro,metabolite	DAABLM
Nc1ccn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000003869480	181050850	/nfs/dbraw/zinc/05/08/50/181050850.db2.gz	IERHLVCPSMICTF-IHBLQFBFSA-N	-1	2	323.198	-2.446	40	0	in-vitro,metabolite	DAABLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000005372441	303352993	/nfs/dbraw/zinc/35/29/93/303352993.db2.gz	SDWIOXKHTFOULX-MZEQXDKDSA-N	-1	2	324.186	-2.895	40	0	in-vitro,metabolite	DAABLM
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000005372441	303352996	/nfs/dbraw/zinc/35/29/96/303352996.db2.gz	SDWIOXKHTFOULX-MZEQXDKDSA-N	-1	2	324.186	-2.895	40	0	in-vitro,metabolite	DAABLM
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000003870257	181050790	/nfs/dbraw/zinc/05/07/90/181050790.db2.gz	DJJCXFVJDGTHFX-IHBLQFBFSA-N	-1	2	324.182	-2.735	40	0		DAABLM
O=c1ccn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000003870257	181050792	/nfs/dbraw/zinc/05/07/92/181050792.db2.gz	DJJCXFVJDGTHFX-IHBLQFBFSA-N	-1	2	324.182	-2.735	40	0		DAABLM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@@H]1O	ZINC000004097100	278151345	/nfs/dbraw/zinc/15/13/45/278151345.db2.gz	BRGMHAYQAZFZDJ-PVFLNQBWSA-N	-1	2	301.188	-2.961	40	0	endogenous,in-man	DAABLM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@@H]1O	ZINC000004097100	278151347	/nfs/dbraw/zinc/15/13/47/278151347.db2.gz	BRGMHAYQAZFZDJ-PVFLNQBWSA-N	-1	2	301.188	-2.961	40	0	endogenous,in-man	DAABLM
Cc1cn([C@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000003870254	302321110	/nfs/dbraw/zinc/32/11/10/302321110.db2.gz	GYOZYWVXFNDGLU-BIIVOSGPSA-N	-1	2	322.210	-1.397	40	0		DAABLM
Cc1cn([C@H]2C[C@H](O)[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000003870254	302321111	/nfs/dbraw/zinc/32/11/11/302321111.db2.gz	GYOZYWVXFNDGLU-BIIVOSGPSA-N	-1	2	322.210	-1.397	40	0		DAABLM