smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(F)nc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000001555157	483347320	/nfs/dbraw/zinc/34/73/20/483347320.db2.gz	GIUYCYHIANZCFB-HJGQOHIQSA-N	-1	2	365.214	-1.724	10	0		FAAELM
Nc1nc(F)nc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000001555157	483347314	/nfs/dbraw/zinc/34/73/14/483347314.db2.gz	GIUYCYHIANZCFB-HJGQOHIQSA-N	-1	2	365.214	-1.724	10	0		FAAELM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869495	574412073	/nfs/dbraw/zinc/41/20/73/574412073.db2.gz	RQRINYISXYAZKL-RPDRRWSUSA-N	-1	2	356.228	-3.751	10	0	endogenous,in-man	FAAELM
Nc1c(=O)[nH]c(=O)[nH]c1NC[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869495	574412072	/nfs/dbraw/zinc/41/20/72/574412072.db2.gz	RQRINYISXYAZKL-RPDRRWSUSA-N	-1	2	356.228	-3.751	10	0	endogenous,in-man	FAAELM
Nc1c(=O)[nH]c(=O)[nH]c1N[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004095611	560193479	/nfs/dbraw/zinc/19/34/79/560193479.db2.gz	LZEXYCAGPMYXLX-UMMCILCDSA-N	-1	2	354.212	-3.387	10	0	in-vitro,metabolite	FAAELM
Nc1c(=O)[nH]c(=O)[nH]c1N[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004095611	560193478	/nfs/dbraw/zinc/19/34/78/560193478.db2.gz	LZEXYCAGPMYXLX-UMMCILCDSA-N	-1	2	354.212	-3.387	10	0	in-vitro,metabolite	FAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2nc[nH]c3=S)[C@H](O)[C@@H]1O	ZINC000004096488	482532289	/nfs/dbraw/zinc/53/22/89/482532289.db2.gz	ZKRFOXLVOKTUTA-KQYNXXCUSA-N	-1	2	364.276	-1.157	10	0	world	FAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2nc[nH]c3=S)[C@H](O)[C@@H]1O	ZINC000004096488	482532279	/nfs/dbraw/zinc/53/22/79/482532279.db2.gz	ZKRFOXLVOKTUTA-KQYNXXCUSA-N	-1	2	364.276	-1.157	10	0	world	FAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1NC=O	ZINC000004096530	204120300	/nfs/dbraw/zinc/12/03/00/204120300.db2.gz	ABCOOORLYAOBOZ-KQYNXXCUSA-N	-1	2	366.223	-2.721	10	0	endogenous,in-man	FAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1NC=O	ZINC000004096530	204120298	/nfs/dbraw/zinc/12/02/98/204120298.db2.gz	ABCOOORLYAOBOZ-KQYNXXCUSA-N	-1	2	366.223	-2.721	10	0	endogenous,in-man	FAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004097048	560194345	/nfs/dbraw/zinc/19/43/45/560194345.db2.gz	FBHYCDOVYMVLEN-RMPHRYRLSA-N	-1	2	352.232	-1.312	10	0	in-vitro,metabolite	FAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004097048	560194343	/nfs/dbraw/zinc/19/43/43/560194343.db2.gz	FBHYCDOVYMVLEN-RMPHRYRLSA-N	-1	2	352.232	-1.312	10	0	in-vitro,metabolite	FAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004097049	560194379	/nfs/dbraw/zinc/19/43/79/560194379.db2.gz	FSJKOMDYZYBBLV-UJPOAAIJSA-N	-1	2	366.259	-1.525	10	0	in-vitro,metabolite	FAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004097049	560194378	/nfs/dbraw/zinc/19/43/78/560194378.db2.gz	FSJKOMDYZYBBLV-UJPOAAIJSA-N	-1	2	366.259	-1.525	10	0	in-vitro,metabolite	FAAELM
[NH2+]=c1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1C(=O)[O-]	ZINC000004097585	560194778	/nfs/dbraw/zinc/19/47/78/560194778.db2.gz	LLSDPYFONVWVGW-ZYUZMQFOSA-N	-1	2	350.220	-1.606	10	0	in-vitro	FAAELM
[NH2+]=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1C(=O)[O-]	ZINC000004097585	560194777	/nfs/dbraw/zinc/19/47/77/560194777.db2.gz	LLSDPYFONVWVGW-ZYUZMQFOSA-N	-1	2	350.220	-1.606	10	0	in-vitro	FAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c4nccn4cnc32)[C@H](O)[C@@H]1O	ZINC000004533498	204143768	/nfs/dbraw/zinc/14/37/68/204143768.db2.gz	IRLXSDZTLYOBQH-YLJFRXORSA-N	-1	2	371.246	-1.193	10	0		FAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c4nccn4cnc32)[C@H](O)[C@@H]1O	ZINC000004533498	204143766	/nfs/dbraw/zinc/14/37/66/204143766.db2.gz	IRLXSDZTLYOBQH-YLJFRXORSA-N	-1	2	371.246	-1.193	10	0		FAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c4nccn4cnc32)[C@@H](O)[C@@H]1O	ZINC000004533499	207026830	/nfs/dbraw/zinc/02/68/30/207026830.db2.gz	IRLXSDZTLYOBQH-CIPNSKCISA-N	-1	2	371.246	-1.193	10	0		FAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c4nccn4cnc32)[C@@H](O)[C@@H]1O	ZINC000004533499	207026828	/nfs/dbraw/zinc/02/68/28/207026828.db2.gz	IRLXSDZTLYOBQH-CIPNSKCISA-N	-1	2	371.246	-1.193	10	0		FAAELM
Nc1ncnc2c1ncn2O[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000013543718	211039592	/nfs/dbraw/zinc/03/95/92/211039592.db2.gz	COMSYKXAIDHVRH-KMPDEGCQSA-N	-1	2	363.223	-2.607	10	0	in-man	FAAELM
Nc1ncnc2c1ncn2O[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000013543718	211039591	/nfs/dbraw/zinc/03/95/91/211039591.db2.gz	COMSYKXAIDHVRH-KMPDEGCQSA-N	-1	2	363.223	-2.607	10	0	in-man	FAAELM
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	ZINC000020233092	211273522	/nfs/dbraw/zinc/27/35/22/211273522.db2.gz	DCTLYFZHFGENCW-HAVMAKPUSA-N	-1	2	364.207	-2.446	10	0	in-vitro	FAAELM
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	ZINC000020233092	211273518	/nfs/dbraw/zinc/27/35/18/211273518.db2.gz	DCTLYFZHFGENCW-HAVMAKPUSA-N	-1	2	364.207	-2.446	10	0	in-vitro	FAAELM
Nc1nc(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1CO	ZINC000098208520	482755886	/nfs/dbraw/zinc/75/58/86/482755886.db2.gz	KPUOHXMVCZBWQC-JXOAFFINSA-N	-1	2	353.224	-2.954	10	0	in-vitro	FAAELM
Nc1nc(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1CO	ZINC000098208520	482755884	/nfs/dbraw/zinc/75/58/84/482755884.db2.gz	KPUOHXMVCZBWQC-JXOAFFINSA-N	-1	2	353.224	-2.954	10	0	in-vitro	FAAELM
Nc1ncnc2c1ncn2[C@@H]1S[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000584636989	483283510	/nfs/dbraw/zinc/28/35/10/483283510.db2.gz	AVQVZFBGCLVGLW-KQYNXXCUSA-N	-1	2	363.292	-1.146	10	0		FAAELM
Nc1ncnc2c1ncn2[C@@H]1S[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000584636989	483283507	/nfs/dbraw/zinc/28/35/07/483283507.db2.gz	AVQVZFBGCLVGLW-KQYNXXCUSA-N	-1	2	363.292	-1.146	10	0		FAAELM
Nc1nc(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1Cl	ZINC000584638330	483283338	/nfs/dbraw/zinc/28/33/38/483283338.db2.gz	OGYWLDSGSILPIC-UAKXSSHOSA-N	-1	2	357.643	-1.550	10	0		FAAELM
Nc1nc(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1Cl	ZINC000584638330	483283335	/nfs/dbraw/zinc/28/33/35/483283335.db2.gz	OGYWLDSGSILPIC-UAKXSSHOSA-N	-1	2	357.643	-1.550	10	0		FAAELM