smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000004214738	525359535	/nfs/dbraw/zinc/35/95/35/525359535.db2.gz	MEFKEPWMEQBLKI-TYYLHDHTSA-O	1	0	399.453	-1.922	50	30	endogenous,world	GAEARO
C[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000004228231	525359220	/nfs/dbraw/zinc/35/92/20/525359220.db2.gz	MEFKEPWMEQBLKI-FCKMPRQPSA-O	1	0	399.453	-1.922	50	30	endogenous,world	GAEARO
C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000012371977	525360712	/nfs/dbraw/zinc/36/07/12/525360712.db2.gz	MEFKEPWMEQBLKI-WDXCNCEWSA-O	1	0	399.453	-1.922	50	30	in-vitro	GAEARO
C[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000012371978	525360308	/nfs/dbraw/zinc/36/03/08/525360308.db2.gz	MEFKEPWMEQBLKI-YWQCAMLESA-O	1	0	399.453	-1.922	50	30	in-vitro	GAEARO
C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@H]1O	ZINC000033821030	230921129	/nfs/dbraw/zinc/92/11/29/230921129.db2.gz	MEFKEPWMEQBLKI-BJEIQGMUSA-O	1	0	399.453	-1.922	50	30		GAEARO
C[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@H]1O	ZINC000033821031	570495293	/nfs/dbraw/zinc/49/52/93/570495293.db2.gz	MEFKEPWMEQBLKI-IUQSPPAYSA-O	1	0	399.453	-1.922	50	30		GAEARO
C[S@+](CC[C@@H]([NH3+])C(=O)[O-])C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000071755544	570885327	/nfs/dbraw/zinc/88/53/27/570885327.db2.gz	MEFKEPWMEQBLKI-FTZJQXGFSA-O	1	0	399.453	-1.922	50	30		GAEARO
C[S@@+](CC[C@@H]([NH3+])C(=O)[O-])C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000071755557	570885221	/nfs/dbraw/zinc/88/52/21/570885221.db2.gz	MEFKEPWMEQBLKI-UXULMIPFSA-O	1	0	399.453	-1.922	50	30		GAEARO
C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O	ZINC000139339614	570561879	/nfs/dbraw/zinc/56/18/79/570561879.db2.gz	MEFKEPWMEQBLKI-WTCFZSAVSA-O	1	0	399.453	-1.922	50	30	in-vitro	GAEARO