smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000013488353	562968278	/nfs/dbraw/zinc/96/82/78/562968278.db2.gz	ADKZHDGLJXVNIT-VBJYJYTRSA-N	0	1	459.485	-1.381	40	30		JAEBMN
CC(C)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000033821383	563110964	/nfs/dbraw/zinc/11/09/64/563110964.db2.gz	XFEDFDTWJLGMBO-LEJQEAHTSA-N	0	1	459.485	-1.381	40	30	in-vitro	JAEBMN