smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)C(=O)N1	ZINC000003188093	562932657	/nfs/dbraw/zinc/93/26/57/562932657.db2.gz	VVKCSCJEYUSLPB-UHFFFAOYSA-N	-1	0	426.388	2.395	10	10		IECERM
O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000041091534	526307160	/nfs/dbraw/zinc/30/71/60/526307160.db2.gz	USZOOZDEZQRLQA-FQEVSTJZSA-N	-1	0	435.457	2.436	10	10		IECERM
O=C(COc1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1)N1CCOCC1	ZINC000035225678	526946620	/nfs/dbraw/zinc/94/66/20/526946620.db2.gz	WRMRWOOFRXVBDM-XDHOZWIPSA-N	-1	0	441.871	2.039	10	10		IECERM
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000041091535	527649396	/nfs/dbraw/zinc/64/93/96/527649396.db2.gz	USZOOZDEZQRLQA-HXUWFJFHSA-N	-1	0	435.457	2.436	10	10		IECERM