smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C([O-])=C1C(=O)[C@H](C)N(C)C1=O	ZINC000028972876	561986101	/nfs/dbraw/zinc/98/61/01/561986101.db2.gz	NHTZEZZBJRROIH-LONQYNSQSA-N	-1	1	557.725	2.752	10	30		KFEEMM
C[C@@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C([O-])[C@H](C)N(C)C1=O	ZINC000028972876	561986100	/nfs/dbraw/zinc/98/61/00/561986100.db2.gz	NHTZEZZBJRROIH-LONQYNSQSA-N	-1	1	557.725	2.752	10	30		KFEEMM
C[C@@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C([O-])=C1C(=O)[C@@H](C)N(C)C1=O	ZINC000043589956	562650124	/nfs/dbraw/zinc/65/01/24/562650124.db2.gz	NHTZEZZBJRROIH-OHKJHLHYSA-N	-1	1	557.725	2.752	10	30		KFEEMM
C[C@@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C([O-])[C@@H](C)N(C)C1=O	ZINC000043589956	562650123	/nfs/dbraw/zinc/65/01/23/562650123.db2.gz	NHTZEZZBJRROIH-OHKJHLHYSA-N	-1	1	557.725	2.752	10	30		KFEEMM
C[C@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C([O-])=C1C(=O)[C@@H](C)N(C)C1=O	ZINC000058522595	562698601	/nfs/dbraw/zinc/69/86/01/562698601.db2.gz	NHTZEZZBJRROIH-VDKGJPPBSA-N	-1	1	557.725	2.752	10	30		KFEEMM
C[C@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C([O-])[C@@H](C)N(C)C1=O	ZINC000058522595	562698600	/nfs/dbraw/zinc/69/86/00/562698600.db2.gz	NHTZEZZBJRROIH-VDKGJPPBSA-N	-1	1	557.725	2.752	10	30		KFEEMM
C[C@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C([O-])[C@H](C)N(C)C1=O	ZINC000169363636	562864353	/nfs/dbraw/zinc/86/43/53/562864353.db2.gz	NHTZEZZBJRROIH-VXQSAIADSA-N	-1	1	557.725	2.752	10	30		KFEEMM
C[C@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C([O-])=C1C(=O)[C@H](C)N(C)C1=O	ZINC000169363636	562864352	/nfs/dbraw/zinc/86/43/52/562864352.db2.gz	NHTZEZZBJRROIH-VXQSAIADSA-N	-1	1	557.725	2.752	10	30		KFEEMM