smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](OCCn1cnc2c1nc(N)[nH]c2=O)P(=O)([O-])[O-]	ZINC000003599970	181038865	/nfs/dbraw/zinc/03/88/65/181038865.db2.gz	BDNRZICSUNENSI-YFKPBYRVSA-N	-2	1	303.215	-0.758	1	0		DBAFML
Cc1cn([C@H]2C=C[C@@H](OCP(=O)([O-])[O-])C2)c(=O)[nH]c1=O	ZINC000003776205	181045535	/nfs/dbraw/zinc/04/55/35/181045535.db2.gz	FPPFSGUPHHAWNU-DTWKUNHWSA-N	-2	1	302.223	-0.134	1	0		DBAFML
Nc1nccc2c1ncn2C[C@@H](CO)OCP(=O)([O-])[O-]	ZINC000006584875	181357558	/nfs/dbraw/zinc/35/75/58/181357558.db2.gz	VMSMFSYUPGEFIX-ZETCQYMHSA-N	-2	1	302.227	-0.474	1	0		DBAFML
Nc1nc2c(ncn2C[C@@H]2CC[C@@H](P(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000003842542	181047998	/nfs/dbraw/zinc/04/79/98/181047998.db2.gz	WMVVWDCCZZNNEX-NTSWFWBYSA-N	-2	1	315.226	-0.615	1	0		DBAFML
Cc1nc2c(nc(N)[nH]c2=O)n1CCOCP(=O)([O-])[O-]	ZINC000003599968	181038994	/nfs/dbraw/zinc/03/89/94/181038994.db2.gz	PYZHSUMOIMKOSJ-UHFFFAOYSA-N	-2	1	303.215	-0.838	1	0		DBAFML
C[C@H](OCCn1cnc2c1nc(N)[nH]c2=O)P(=O)([O-])[O-]	ZINC000003599971	181039126	/nfs/dbraw/zinc/03/91/26/181039126.db2.gz	BDNRZICSUNENSI-RXMQYKEDSA-N	-2	1	303.215	-0.758	1	0		DBAFML
Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](OCP(=O)([O-])[O-])O1	ZINC000003810242	181046507	/nfs/dbraw/zinc/04/65/07/181046507.db2.gz	BCRLPQARMLGSRS-RQJHMYQMSA-N	-2	1	313.210	-0.029	1	0		DBAFML
Cc1cn([C@@H]2C=C[C@@H](P(=O)([O-])[O-])O[C@@H]2C)c(=O)[nH]c1=O	ZINC000040609197	183108928	/nfs/dbraw/zinc/10/89/28/183108928.db2.gz	YLISBXJWNDYXFM-IWSPIJDZSA-N	-2	1	302.223	-0.135	1	0		DBAFML
Nc1nc2c(ncn2C[C@H]2CC[C@H](P(=O)([O-])[O-])O2)c(N)n1	ZINC000005975250	181302873	/nfs/dbraw/zinc/30/28/73/181302873.db2.gz	GUODURSWQDQDCK-RITPCOANSA-N	-2	1	314.242	-0.327	1	0		DBAFML
Nc1ncnc2nn(C[C@@H](CF)OCP(=O)([O-])[O-])nc21	ZINC000003636940	181042686	/nfs/dbraw/zinc/04/26/86/181042686.db2.gz	QTKPVPKOYBUROP-RXMQYKEDSA-N	-2	1	306.194	-0.707	1	0		DBAFML
Nc1nc2c(ncn2C[C@@H](CF)OCP(=O)([O-])[O-])c(N)n1	ZINC000005975243	181302865	/nfs/dbraw/zinc/30/28/65/181302865.db2.gz	GFVHBMMZFJJYDN-RXMQYKEDSA-N	-2	1	320.221	-0.519	1	0		DBAFML
[NH3+][C@@H](CC[P@](=O)([O-])C[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000058631281	184125524	/nfs/dbraw/zinc/12/55/24/184125524.db2.gz	YLHAQDFYEKJARV-BQBZGAKWSA-N	-3	1	311.227	-0.376	1	0		DBAFML
Cc1cn([C@H]2C=C[C@@H](OCP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000003783979	181046043	/nfs/dbraw/zinc/04/60/43/181046043.db2.gz	GFOIEUKLMHXAEP-SFYZADRCSA-N	-2	1	304.195	-0.592	1	0		DBAFML
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](N([O-])C=O)[C@H]2SC1	ZINC000040423144	183065139	/nfs/dbraw/zinc/06/51/39/183065139.db2.gz	ZJJJLXDZIYJHNN-PSASIEDQSA-N	-2	1	316.291	-0.981	1	0		DBAFML
[NH3+][C@@H](CC[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000040976445	183153965	/nfs/dbraw/zinc/15/39/65/183153965.db2.gz	YLHAQDFYEKJARV-RQJHMYQMSA-N	-3	1	311.227	-0.376	1	0	in-vitro	DBAFML
Nc1nc2c(ncn2C[C@@H]2CC[C@H](P(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000003842541	181047737	/nfs/dbraw/zinc/04/77/37/181047737.db2.gz	WMVVWDCCZZNNEX-WDSKDSINSA-N	-2	1	315.226	-0.615	1	0		DBAFML
CC(=O)Nc1ccn([C@H]2CO[C@@H](C[P@](=O)([O-])O)O2)c(=O)n1	ZINC000005856566	181289917	/nfs/dbraw/zinc/28/99/17/181289917.db2.gz	UMZYMNOFMAMXBB-RKDXNWHRSA-N	-2	1	319.210	-0.749	1	0		DBAFML
Cc1cn([C@@H]2C=C[C@H](P(=O)([O-])[O-])O[C@@H]2C)c(=O)[nH]c1=O	ZINC000040609194	183108846	/nfs/dbraw/zinc/10/88/46/183108846.db2.gz	YLISBXJWNDYXFM-HLTSFMKQSA-N	-2	1	302.223	-0.135	1	0		DBAFML