smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@@H](C)O1	ZINC000169373019	562864873	/nfs/dbraw/zinc/86/48/73/562864873.db2.gz	QFVZNFILGZRNIT-YHGYSGNUSA-N	-1	3	729.688	1.131	1	70		KDIFHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@@H](C)O1	ZINC000169373019	562864872	/nfs/dbraw/zinc/86/48/72/562864872.db2.gz	QFVZNFILGZRNIT-YHGYSGNUSA-N	-1	3	729.688	1.131	1	70		KDIFHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc([O-])c(c4)Oc4ccc(cc4)[C@@H]3O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)cc1	ZINC000161239861	562849150	/nfs/dbraw/zinc/84/91/50/562849150.db2.gz	TWOWSRSKGJSZHZ-CGVRWXRGSA-N	-1	3	772.856	1.034	3	70		KDIFHM
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4[O-])C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1	ZINC000161413766	562849181	/nfs/dbraw/zinc/84/91/81/562849181.db2.gz	VXVGFMUNENQGFW-SZEWSLOJSA-N	-1	3	756.857	1.543	3	70		KDIFHM