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)(C)CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)N(Cc2ccccc2O)C3)[C@H](O)[C@@H]1O	ZINC000097976447	553969914	/nfs/dbraw/zinc/96/99/14/553969914.db2.gz	HVDHMMAFVVPCPE-XHDQCUGNSA-N	0	1	601.701	-1.064	40	10		KACBMN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)C3CC3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000108317174	571423207	/nfs/dbraw/zinc/42/32/07/571423207.db2.gz	IOYPBGOMSWLJBQ-RSHBGHTASA-N	0	1	571.631	-2.090	40	10		KACBMN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3S(=O)(=O)c3cccc(F)c3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000150655737	571526858	/nfs/dbraw/zinc/52/68/58/571526858.db2.gz	FAPSXDCCJCTLJL-WRJSTFRQSA-N	0	1	661.709	-1.499	40	10		KACBMN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)C3CCOCC3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225434700	571801781	/nfs/dbraw/zinc/80/17/81/571801781.db2.gz	USAFOWQVXJNRIB-BOHYKSTISA-N	0	1	615.684	-2.074	40	10		KACBMN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)COc3ccccc3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225438230	571807304	/nfs/dbraw/zinc/80/73/04/571807304.db2.gz	WPSVVHQEJWPINZ-BOGKGFANSA-N	0	1	637.690	-1.421	40	10		KACBMN