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)C1=C([O-])N(C)[C@@H](C)C1=O	ZINC000028972876	561986099	/nfs/dbraw/zinc/98/60/99/561986099.db2.gz	NHTZEZZBJRROIH-LONQYNSQSA-N	-1	0	557.725	2.752	10	30		KFEERM
C[C@@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C([O-])N(C)[C@H](C)C1=O	ZINC000043589956	562650122	/nfs/dbraw/zinc/65/01/22/562650122.db2.gz	NHTZEZZBJRROIH-OHKJHLHYSA-N	-1	0	557.725	2.752	10	30		KFEERM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1	ZINC000056898810	562697886	/nfs/dbraw/zinc/69/78/86/562697886.db2.gz	WVKSUFYQOHQCMM-YGZHYJPASA-N	-1	0	544.622	2.669	10	30	investigational	KFEERM
C[C@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C([O-])N(C)[C@H](C)C1=O	ZINC000058522595	562698599	/nfs/dbraw/zinc/69/85/99/562698599.db2.gz	NHTZEZZBJRROIH-VDKGJPPBSA-N	-1	0	557.725	2.752	10	30		KFEERM
Cc1ccc(S(=O)(=O)NCc2nnc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[n-]3)s2)cc1	ZINC000103552287	555444496	/nfs/dbraw/zinc/44/44/96/555444496.db2.gz	PHSFCDAAUJWRJU-UHFFFAOYSA-N	-1	0	553.651	2.678	10	30		KFEERM
C[C@H](CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=C([O-])N(C)[C@@H](C)C1=O	ZINC000169363636	562864351	/nfs/dbraw/zinc/86/43/51/562864351.db2.gz	NHTZEZZBJRROIH-VXQSAIADSA-N	-1	0	557.725	2.752	10	30		KFEERM