smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CC[P@@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O	ZINC000008220018	717106645	/nfs/dbraw/zinc/10/66/45/717106645.db2.gz	RNUGPSIGKYHQNQ-OJAKKHQRSA-O	-1	0	473.336	-1.530	10	5	in-man	JABERM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O	ZINC000077319971	569706094	/nfs/dbraw/zinc/70/60/94/569706094.db2.gz	HLGXKBPFICLHPF-LPTSXCQYSA-O	-1	0	490.319	-1.887	10	5	in-vitro	JABERM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O	ZINC000097976147	717142008	/nfs/dbraw/zinc/14/20/08/717142008.db2.gz	HLGXKBPFICLHPF-BQUFFADESA-O	-1	0	490.319	-1.887	10	5		JABERM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000102211562	717145858	/nfs/dbraw/zinc/14/58/58/717145858.db2.gz	HLGXKBPFICLHPF-OJAKKHQRSA-O	-1	0	490.319	-1.887	10	5		JABERM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O	ZINC000102211564	717145844	/nfs/dbraw/zinc/14/58/44/717145844.db2.gz	HLGXKBPFICLHPF-GWNIPJSYSA-O	-1	0	490.319	-1.887	10	5		JABERM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000110347779	717148038	/nfs/dbraw/zinc/14/80/38/717148038.db2.gz	HLGXKBPFICLHPF-SQNXGDPESA-O	-1	0	490.319	-1.887	10	5		JABERM
C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O	ZINC000110347782	717148315	/nfs/dbraw/zinc/14/83/15/717148315.db2.gz	HLGXKBPFICLHPF-SYEHKZFSSA-O	-1	0	490.319	-1.887	10	5		JABERM
C[N+](C)(C)CCO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000256671528	717177433	/nfs/dbraw/zinc/17/74/33/717177433.db2.gz	HLGXKBPFICLHPF-RYDUCSDGSA-O	-1	0	490.319	-1.475	10	5		JABERM