smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](CCc2nn[nH]n2)C(=O)[O-])c(F)c1	ZINC000001654736	551688078	/nfs/dbraw/zinc/68/80/78/551688078.db2.gz	IEJSCSAMMLUINT-NRFANRHFSA-N	-1	1	532.536	1.648	10	30	investigational	KDEEMM
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@H](CCc2nn[nH]n2)C(=O)[O-])c(F)c1	ZINC000003832382	561683650	/nfs/dbraw/zinc/68/36/50/561683650.db2.gz	IEJSCSAMMLUINT-OAQYLSRUSA-N	-1	1	532.536	1.648	10	30		KDEEMM
COc1cc(O)c2c3c(c4c(c2O)C(=O)[C@]2(O)C(=O)C(C(N)=O)=C([O-])C[C@]2(O)[C@H]4O)C[C@@]2(c31)C(C)=CCCC2(C)C	ZINC000005160187	561695665	/nfs/dbraw/zinc/69/56/65/561695665.db2.gz	SUWQGLGDFGHZNH-WBWZXODPSA-N	-1	1	565.575	1.782	10	30	in-vitro	KDEEMM