smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000001532555	483329232	/nfs/dbraw/zinc/32/92/32/483329232.db2.gz	RQFCJASXJCIDSX-GIMIYPNGSA-N	-1	2	363.223	-2.570	40	0	in-vitro	FAABLM
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000001532555	483329231	/nfs/dbraw/zinc/32/92/31/483329231.db2.gz	RQFCJASXJCIDSX-GIMIYPNGSA-N	-1	2	363.223	-2.570	40	0	in-vitro	FAABLM
O=c1[nH]c2c(ncn2[C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000001532710	483343824	/nfs/dbraw/zinc/34/38/24/483343824.db2.gz	DCTLYFZHFGENCW-GIMIYPNGSA-N	-1	2	364.207	-2.859	40	0	in-vitro	FAABLM
O=c1[nH]c2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000001532710	483343823	/nfs/dbraw/zinc/34/38/23/483343823.db2.gz	DCTLYFZHFGENCW-GIMIYPNGSA-N	-1	2	364.207	-2.859	40	0	in-vitro	FAABLM
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003073318	206229039	/nfs/dbraw/zinc/22/90/39/206229039.db2.gz	RQFCJASXJCIDSX-HFXAWCPLSA-N	-1	2	363.223	-2.570	40	0	biogenic,in-vitro	FAABLM
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003073318	206229037	/nfs/dbraw/zinc/22/90/37/206229037.db2.gz	RQFCJASXJCIDSX-HFXAWCPLSA-N	-1	2	363.223	-2.570	40	0	biogenic,in-vitro	FAABLM
Nc1nc(F)nc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000003830848	206165283	/nfs/dbraw/zinc/16/52/83/206165283.db2.gz	GIUYCYHIANZCFB-PXMDKTAGSA-N	-1	2	365.214	-1.724	40	0		FAABLM
Nc1nc(F)nc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000003830848	206165279	/nfs/dbraw/zinc/16/52/79/206165279.db2.gz	GIUYCYHIANZCFB-PXMDKTAGSA-N	-1	2	365.214	-1.724	40	0		FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000003830849	482714567	/nfs/dbraw/zinc/71/45/67/482714567.db2.gz	GIUYCYHIANZCFB-HAVMAKPUSA-N	-1	2	365.214	-1.724	40	0		FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000003830849	482714565	/nfs/dbraw/zinc/71/45/65/482714565.db2.gz	GIUYCYHIANZCFB-HAVMAKPUSA-N	-1	2	365.214	-1.724	40	0		FAABLM
Nc1nc(F)nc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003830850	482715739	/nfs/dbraw/zinc/71/57/39/482715739.db2.gz	GIUYCYHIANZCFB-HFXAWCPLSA-N	-1	2	365.214	-1.724	40	0		FAABLM
Nc1nc(F)nc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003830850	482715736	/nfs/dbraw/zinc/71/57/36/482715736.db2.gz	GIUYCYHIANZCFB-HFXAWCPLSA-N	-1	2	365.214	-1.724	40	0		FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003830851	482715599	/nfs/dbraw/zinc/71/55/99/482715599.db2.gz	GIUYCYHIANZCFB-FULWYAMNSA-N	-1	2	365.214	-1.724	40	0		FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003830851	482715594	/nfs/dbraw/zinc/71/55/94/482715594.db2.gz	GIUYCYHIANZCFB-FULWYAMNSA-N	-1	2	365.214	-1.724	40	0		FAABLM
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000003869963	482798769	/nfs/dbraw/zinc/79/87/69/482798769.db2.gz	RQFCJASXJCIDSX-PXMDKTAGSA-N	-1	2	363.223	-2.570	40	0	biogenic,in-vitro	FAABLM
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000003869963	482798763	/nfs/dbraw/zinc/79/87/63/482798763.db2.gz	RQFCJASXJCIDSX-PXMDKTAGSA-N	-1	2	363.223	-2.570	40	0	biogenic,in-vitro	FAABLM
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003869965	483083497	/nfs/dbraw/zinc/08/34/97/483083497.db2.gz	RQFCJASXJCIDSX-FULWYAMNSA-N	-1	2	363.223	-2.570	40	0	biogenic,in-vitro	FAABLM
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003869965	483083492	/nfs/dbraw/zinc/08/34/92/483083492.db2.gz	RQFCJASXJCIDSX-FULWYAMNSA-N	-1	2	363.223	-2.570	40	0	biogenic,in-vitro	FAABLM
Nc1c2ncn([C@H]3O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]3O)c2nc[n+]1[O-]	ZINC000005606507	482533728	/nfs/dbraw/zinc/53/37/28/482533728.db2.gz	MMCWKNMZNVBUAG-WDHZHIADSA-N	-1	2	363.223	-2.625	40	0		FAABLM
Nc1c2ncn([C@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]3O)c2nc[n+]1[O-]	ZINC000005606507	482533723	/nfs/dbraw/zinc/53/37/23/482533723.db2.gz	MMCWKNMZNVBUAG-WDHZHIADSA-N	-1	2	363.223	-2.625	40	0		FAABLM
Nc1c2ncn([C@@H]3O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]3O)c2nc[n+]1[O-]	ZINC000005606509	482534329	/nfs/dbraw/zinc/53/43/29/482534329.db2.gz	MMCWKNMZNVBUAG-HGOUYRHRSA-N	-1	2	363.223	-2.625	40	0		FAABLM
Nc1c2ncn([C@@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]3O)c2nc[n+]1[O-]	ZINC000005606509	482534324	/nfs/dbraw/zinc/53/43/24/482534324.db2.gz	MMCWKNMZNVBUAG-HGOUYRHRSA-N	-1	2	363.223	-2.625	40	0		FAABLM
Nc1c2ncn([C@H]3O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]3O)c2nc[n+]1[O-]	ZINC000005606512	207109444	/nfs/dbraw/zinc/10/94/44/207109444.db2.gz	MMCWKNMZNVBUAG-HUEBKHCJSA-N	-1	2	363.223	-2.625	40	0		FAABLM
Nc1c2ncn([C@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]3O)c2nc[n+]1[O-]	ZINC000005606512	207109440	/nfs/dbraw/zinc/10/94/40/207109440.db2.gz	MMCWKNMZNVBUAG-HUEBKHCJSA-N	-1	2	363.223	-2.625	40	0		FAABLM
Nc1c2ncn([C@@H]3O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]3O)c2nc[n+]1[O-]	ZINC000005606514	263342360	/nfs/dbraw/zinc/34/23/60/263342360.db2.gz	MMCWKNMZNVBUAG-PERBPWGJSA-N	-1	2	363.223	-2.625	40	0		FAABLM
Nc1c2ncn([C@@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]3O)c2nc[n+]1[O-]	ZINC000005606514	263342358	/nfs/dbraw/zinc/34/23/58/263342358.db2.gz	MMCWKNMZNVBUAG-PERBPWGJSA-N	-1	2	363.223	-2.625	40	0		FAABLM
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000009659886	483709404	/nfs/dbraw/zinc/70/94/04/483709404.db2.gz	RQFCJASXJCIDSX-HAVMAKPUSA-N	-1	2	363.223	-2.739	40	0	biogenic,in-vitro	FAABLM
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000009659886	483709401	/nfs/dbraw/zinc/70/94/01/483709401.db2.gz	RQFCJASXJCIDSX-HAVMAKPUSA-N	-1	2	363.223	-2.739	40	0	biogenic,in-vitro	FAABLM
Nc1nc(F)nc2c1ncn2[C@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000011616626	482757215	/nfs/dbraw/zinc/75/72/15/482757215.db2.gz	GIUYCYHIANZCFB-ICKFSKTQSA-N	-1	2	365.214	-1.724	40	0		FAABLM
Nc1nc(F)nc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000011616626	482757211	/nfs/dbraw/zinc/75/72/11/482757211.db2.gz	GIUYCYHIANZCFB-ICKFSKTQSA-N	-1	2	365.214	-1.724	40	0		FAABLM
CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013516496	220070671	/nfs/dbraw/zinc/07/06/71/220070671.db2.gz	WETVNPRPZIYMAC-IOSLPCCCSA-N	-1	2	361.251	-1.404	40	0	in-vitro	FAABLM
CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013516496	220070669	/nfs/dbraw/zinc/07/06/69/220070669.db2.gz	WETVNPRPZIYMAC-IOSLPCCCSA-N	-1	2	361.251	-1.404	40	0	in-vitro	FAABLM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c4nccn4cnc32)[C@H](O)[C@@H]1O	ZINC000031475037	263391993	/nfs/dbraw/zinc/39/19/93/263391993.db2.gz	IRLXSDZTLYOBQH-WOUKDFQISA-N	-1	2	371.246	-1.193	40	0	in-vitro	FAABLM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c4nccn4cnc32)[C@H](O)[C@@H]1O	ZINC000031475037	263391992	/nfs/dbraw/zinc/39/19/92/263391992.db2.gz	IRLXSDZTLYOBQH-WOUKDFQISA-N	-1	2	371.246	-1.193	40	0	in-vitro	FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000033902473	482902587	/nfs/dbraw/zinc/90/25/87/482902587.db2.gz	GIUYCYHIANZCFB-UUOKFMHZSA-N	-1	2	365.214	-1.724	40	0	in-vitro	FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000033902473	482902579	/nfs/dbraw/zinc/90/25/79/482902579.db2.gz	GIUYCYHIANZCFB-UUOKFMHZSA-N	-1	2	365.214	-1.724	40	0	in-vitro	FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035112848	263397876	/nfs/dbraw/zinc/39/78/76/263397876.db2.gz	YSIMTGNFODFMMA-YKJCMVHCSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035112848	263397873	/nfs/dbraw/zinc/39/78/73/263397873.db2.gz	YSIMTGNFODFMMA-YKJCMVHCSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@H]2[C@@H]1N=CN2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035112851	263397795	/nfs/dbraw/zinc/39/77/95/263397795.db2.gz	YSIMTGNFODFMMA-WDVGISTPSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@H]2[C@@H]1N=CN2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035112851	263397792	/nfs/dbraw/zinc/39/77/92/263397792.db2.gz	YSIMTGNFODFMMA-WDVGISTPSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@H]1N=CN2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035112854	263397914	/nfs/dbraw/zinc/39/79/14/263397914.db2.gz	YSIMTGNFODFMMA-ZOMMQBAUSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@H]1N=CN2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035112854	263397913	/nfs/dbraw/zinc/39/79/13/263397913.db2.gz	YSIMTGNFODFMMA-ZOMMQBAUSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@H]2[C@H]1N=CN2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035112857	263397585	/nfs/dbraw/zinc/39/75/85/263397585.db2.gz	YSIMTGNFODFMMA-APDUKXCWSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@H]2[C@H]1N=CN2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035112857	263397583	/nfs/dbraw/zinc/39/75/83/263397583.db2.gz	YSIMTGNFODFMMA-APDUKXCWSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000038189408	483691814	/nfs/dbraw/zinc/69/18/14/483691814.db2.gz	YSIMTGNFODFMMA-VSKWAHJVSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000038189408	483691810	/nfs/dbraw/zinc/69/18/10/483691810.db2.gz	YSIMTGNFODFMMA-VSKWAHJVSA-N	-1	2	350.224	-3.261	40	0		FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000064479802	483340505	/nfs/dbraw/zinc/34/05/05/483340505.db2.gz	GIUYCYHIANZCFB-GFRUICAKSA-N	-1	2	365.214	-1.724	40	0	in-vitro	FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000064479802	483340502	/nfs/dbraw/zinc/34/05/02/483340502.db2.gz	GIUYCYHIANZCFB-GFRUICAKSA-N	-1	2	365.214	-1.724	40	0	in-vitro	FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000080452830	527553235	/nfs/dbraw/zinc/55/32/35/527553235.db2.gz	GIUYCYHIANZCFB-FTWQFJAYSA-N	-1	2	365.214	-1.724	40	0	in-vitro	FAABLM
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000080452830	527553231	/nfs/dbraw/zinc/55/32/31/527553231.db2.gz	GIUYCYHIANZCFB-FTWQFJAYSA-N	-1	2	365.214	-1.724	40	0	in-vitro	FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000257345364	482620248	/nfs/dbraw/zinc/62/02/48/482620248.db2.gz	YSIMTGNFODFMMA-DLQLMRGSSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000257345364	482620243	/nfs/dbraw/zinc/62/02/43/482620243.db2.gz	YSIMTGNFODFMMA-DLQLMRGSSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000257345365	482619705	/nfs/dbraw/zinc/61/97/05/482619705.db2.gz	YSIMTGNFODFMMA-IJCMWECSSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000257345365	482619702	/nfs/dbraw/zinc/61/97/02/482619702.db2.gz	YSIMTGNFODFMMA-IJCMWECSSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000257345366	482619564	/nfs/dbraw/zinc/61/95/64/482619564.db2.gz	YSIMTGNFODFMMA-VGNVYZASSA-N	-1	2	350.224	-3.261	40	0		FAABLM
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000257345366	482619557	/nfs/dbraw/zinc/61/95/57/482619557.db2.gz	YSIMTGNFODFMMA-VGNVYZASSA-N	-1	2	350.224	-3.261	40	0		FAABLM