smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(Cc1ccccc1O)C3)[C@H](O)[C@@H]2O	ZINC000097976604	553971717	/nfs/dbraw/zinc/97/17/17/553971717.db2.gz	WMBPOZKUETWVGQ-RSHBGHTASA-N	0	0	532.594	-1.580	40	10		KACBRN
COCC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(Cc1ccccc1O)C3)[C@H](O)[C@@H]2O	ZINC000097976632	553971840	/nfs/dbraw/zinc/97/18/40/553971840.db2.gz	CRQQAYBPXKYPFM-SYVNZHQISA-N	0	0	562.620	-1.953	40	10		KACBRN
CC(C)NC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(Cc1ccccc1O)C3)[C@H](O)[C@@H]2O	ZINC000097976694	553972482	/nfs/dbraw/zinc/97/24/82/553972482.db2.gz	DTOKFFFSBAYVCU-KRFUEFTHSA-N	0	0	575.663	-1.008	40	10		KACBRN
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225442910	571813770	/nfs/dbraw/zinc/81/37/70/571813770.db2.gz	DCEBYATVCQGUEY-KRFUEFTHSA-N	0	0	558.632	-1.190	40	10		KACBRN