smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[C@H]3CC(=O)C(=O)[C@@H](C)O3)O2)c(=O)[nH]c1=O	ZINC000008552204	560209488	/nfs/dbraw/zinc/20/94/88/560209488.db2.gz	FHKRUUVTZNTHKJ-BNPPUKTJSA-N	-2	0	528.300	-0.983	1	10	in-vitro	KBCFRL
O=C([O-])CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)[O-]	ZINC000029474845	562026347	/nfs/dbraw/zinc/02/63/47/562026347.db2.gz	MVUYTXKLLGHKIE-VXKWHMMOSA-N	-2	0	649.613	-0.880	1	10		KBCFRL
O=C([O-])CC[C@H](NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000049863787	562689301	/nfs/dbraw/zinc/68/93/01/562689301.db2.gz	SHTBBHOELGMGDS-HJOGWXRNSA-N	-3	0	721.676	-0.647	1	10		KBCFRL
O=C([O-])CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)[O-]	ZINC000049863827	562689327	/nfs/dbraw/zinc/68/93/27/562689327.db2.gz	VBKWFVJBVAGRSM-HJOGWXRNSA-N	-3	0	721.676	-0.647	1	10		KBCFRL
O=C([O-])CC[C@H](NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000096904585	562798410	/nfs/dbraw/zinc/79/84/10/562798410.db2.gz	GGCFNCAHFRRDDC-CQJMVLFOSA-N	-4	0	793.739	-0.413	1	10		KBCFRL
NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000096904703	562798467	/nfs/dbraw/zinc/79/84/67/562798467.db2.gz	MJEWAXPOOZMNBP-FWEHEUNISA-N	-2	0	760.757	-0.371	1	10		KBCFRL