smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](CO)NC(=O)c1cccc(O)c1[O-]	ZINC000000901977	182286587	/nfs/dbraw/zinc/28/65/87/182286587.db2.gz	VDTYHTVHFIIEIL-LURJTMIESA-N	-2	3	241.199	-0.727	10	10	in-vivo	BBCEHL
O=C([O-])CNC(=O)c1cccc(O)c1[O-]	ZINC000006091711	386495399	/nfs/dbraw/zinc/49/53/99/386495399.db2.gz	QEQVYIIYYNYLHC-UHFFFAOYSA-N	-2	3	211.173	-0.088	10	10	in-vitro	BBCEHL
O=C([O-])[C@@H](CO)NC(=O)c1cccc(O)c1[O-]	ZINC000012502492	182324060	/nfs/dbraw/zinc/32/40/60/182324060.db2.gz	VDTYHTVHFIIEIL-ZCFIWIBFSA-N	-2	3	241.199	-0.727	10	10	in-vitro	BBCEHL
O=C([O-])CNC(=O)c1ccc([O-])c(O)c1	ZINC000142447986	259358870	/nfs/dbraw/zinc/35/88/70/259358870.db2.gz	QVGDKHUNWDVPOR-UHFFFAOYSA-N	-2	3	211.173	-0.088	10	10		BBCEHL
CC(=O)[N-]C1=NC(=O)C(=CNCC(=O)[O-])S1	ZINC000618255263	356468996	/nfs/dbraw/zinc/46/89/96/356468996.db2.gz	UJJXISODYQRQHI-DJWKRKHSSA-N	-2	3	243.244	-0.733	10	10		BBCEHL