smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1I	ZINC000013547846	560219589	/nfs/dbraw/zinc/21/95/89/560219589.db2.gz	JYCZFDPCUJKMMG-RRKCRQDMSA-N	-1	2	433.095	-0.812	1	0	in-vitro	IBAFLM
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1I	ZINC000013547846	560219587	/nfs/dbraw/zinc/21/95/87/560219587.db2.gz	JYCZFDPCUJKMMG-RRKCRQDMSA-N	-1	2	433.095	-0.812	1	0	in-vitro	IBAFLM
O=c1nc(NO)c(I)cn1[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000013835499	563012164	/nfs/dbraw/zinc/01/21/64/563012164.db2.gz	PQKOSAZYYLHUND-RRKCRQDMSA-N	-1	2	449.094	-0.593	1	0		IBAFLM
O=c1nc(NO)c(I)cn1[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000013835499	563012163	/nfs/dbraw/zinc/01/21/63/563012163.db2.gz	PQKOSAZYYLHUND-RRKCRQDMSA-N	-1	2	449.094	-0.593	1	0		IBAFLM
[NH3+][C@@H](Cn1c2cscc2c(=O)n(Cc2ccsc2[P@](=O)([O-])O)c1=O)C(=O)[O-]	ZINC000072106651	563163058	/nfs/dbraw/zinc/16/30/58/563163058.db2.gz	JUVRVJPSHJZNDD-VIFPVBQESA-N	-1	2	431.388	-0.451	1	0		IBAFLM
[NH3+][C@@H](Cn1c2cscc2c(=O)n(Cc2ccsc2[P@@](=O)([O-])O)c1=O)C(=O)[O-]	ZINC000072106651	563163057	/nfs/dbraw/zinc/16/30/57/563163057.db2.gz	JUVRVJPSHJZNDD-VIFPVBQESA-N	-1	2	431.388	-0.451	1	0		IBAFLM
[NH3+][C@@H](Cn1c2ccsc2c(=O)n(Cc2ccsc2[P@](=O)([O-])O)c1=O)C(=O)[O-]	ZINC000072106652	563163065	/nfs/dbraw/zinc/16/30/65/563163065.db2.gz	DICLJHKQCKLIAC-QMMMGPOBSA-N	-1	2	431.388	-0.451	1	0		IBAFLM
[NH3+][C@@H](Cn1c2ccsc2c(=O)n(Cc2ccsc2[P@@](=O)([O-])O)c1=O)C(=O)[O-]	ZINC000072106652	563163064	/nfs/dbraw/zinc/16/30/64/563163064.db2.gz	DICLJHKQCKLIAC-QMMMGPOBSA-N	-1	2	431.388	-0.451	1	0		IBAFLM