smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c1C	ZINC000001529923	560181211	/nfs/dbraw/zinc/18/12/11/560181211.db2.gz	SXDXRJZUAJBNFL-OYNCUSHFSA-N	0	2	326.309	-2.877	1	0	endogenous,in-vitro	EAAFLN
NC(=O)c1ccc[n+]([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000003870106	210081741	/nfs/dbraw/zinc/08/17/41/210081741.db2.gz	DAYLJWODMCOQEW-SJQPAMGKSA-O	0	2	335.229	-2.199	1	0		EAAFLN
NC(=O)c1ccc[n+]([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000003870106	210081738	/nfs/dbraw/zinc/08/17/38/210081738.db2.gz	DAYLJWODMCOQEW-SJQPAMGKSA-O	0	2	335.229	-2.199	1	0		EAAFLN
NC(=O)c1ccc[n+]([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000003870107	210082645	/nfs/dbraw/zinc/08/26/45/210082645.db2.gz	DAYLJWODMCOQEW-YSSBGUOXSA-O	0	2	335.229	-2.199	1	0		EAAFLN
NC(=O)c1ccc[n+]([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000003870107	210082640	/nfs/dbraw/zinc/08/26/40/210082640.db2.gz	DAYLJWODMCOQEW-YSSBGUOXSA-O	0	2	335.229	-2.199	1	0		EAAFLN
Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@@H](O)[C@H](O)CO)c1C	ZINC000004096382	574412179	/nfs/dbraw/zinc/41/21/79/574412179.db2.gz	SXDXRJZUAJBNFL-QXFUBDJGSA-N	0	2	326.309	-2.877	1	0	endogenous,in-man	EAAFLN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H]([NH3+])[C@H]1O	ZINC000004097313	560194560	/nfs/dbraw/zinc/19/45/60/560194560.db2.gz	WIVGZDLLXCRANL-GQTRHBFLSA-N	0	2	346.240	-1.897	1	0	in-vitro	EAAFLN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H]([NH3+])[C@H]1O	ZINC000004097313	560194559	/nfs/dbraw/zinc/19/45/59/560194559.db2.gz	WIVGZDLLXCRANL-GQTRHBFLSA-N	0	2	346.240	-1.897	1	0	in-vitro	EAAFLN
Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c1C	ZINC000008551675	560209370	/nfs/dbraw/zinc/20/93/70/560209370.db2.gz	SXDXRJZUAJBNFL-KHQFGBGNSA-N	0	2	326.309	-2.877	1	0	endogenous,in-vitro	EAAFLN
Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@@H](O)[C@H](O)[C@@H](O)CO)c1C	ZINC000008551676	560209322	/nfs/dbraw/zinc/20/93/22/560209322.db2.gz	SXDXRJZUAJBNFL-WEDXCCLWSA-N	0	2	326.309	-2.877	1	0	endogenous,in-vitro	EAAFLN
Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@@H](O)CO)c1C	ZINC000008551677	560209307	/nfs/dbraw/zinc/20/93/07/560209307.db2.gz	SXDXRJZUAJBNFL-NRPADANISA-N	0	2	326.309	-2.877	1	0	endogenous,in-vitro	EAAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@@H+](C)[C@@H](CO)C(N)=O)S[C@H]12	ZINC000027418709	202154635	/nfs/dbraw/zinc/15/46/35/202154635.db2.gz	GAVKBCWKRILGSB-OZMPGIJFSA-N	0	2	345.377	-2.027	1	0		EAAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@H+](C)[C@@H](CO)C(N)=O)S[C@H]12	ZINC000027418709	202154633	/nfs/dbraw/zinc/15/46/33/202154633.db2.gz	GAVKBCWKRILGSB-OZMPGIJFSA-N	0	2	345.377	-2.027	1	0		EAAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@@H+](C)[C@H](CO)C(N)=O)S[C@H]12	ZINC000027418713	202155106	/nfs/dbraw/zinc/15/51/06/202155106.db2.gz	GAVKBCWKRILGSB-ZZENGJLHSA-N	0	2	345.377	-2.027	1	0		EAAFLN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@H+](C)[C@H](CO)C(N)=O)S[C@H]12	ZINC000027418713	202155102	/nfs/dbraw/zinc/15/51/02/202155102.db2.gz	GAVKBCWKRILGSB-ZZENGJLHSA-N	0	2	345.377	-2.027	1	0		EAAFLN
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)[NH3+]	ZINC000027519488	202156803	/nfs/dbraw/zinc/15/68/03/202156803.db2.gz	WDDUSOFDSUKVSP-UFGQHTETSA-N	0	2	334.329	-4.268	1	0		EAAFLN
O=c1ccoc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12	ZINC000040974170	560078766	/nfs/dbraw/zinc/07/87/66/560078766.db2.gz	IMVRWUJCOBUHCO-TVKJYDDYSA-N	0	2	340.284	-1.323	1	0	biogenic,in-vitro	EAAFLN