smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)cc2c1OCO2	ZINC000217663823	571602227	/nfs/dbraw/zinc/60/22/27/571602227.db2.gz	UKTRGKIOKNNHBK-CQSZACIVSA-N	-1	1	504.447	4.058	50	70		KIIAMM
COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)cc2c1OCO2	ZINC000217663900	571602355	/nfs/dbraw/zinc/60/23/55/571602355.db2.gz	UKTRGKIOKNNHBK-AWEZNQCLSA-N	-1	1	504.447	4.058	50	70		KIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cc(OC)c(OC)cc2OC)CC(=O)O4)cc1O	ZINC000217664423	571602199	/nfs/dbraw/zinc/60/21/99/571602199.db2.gz	LHIDUTOWRRLPAK-HNNXBMFYSA-N	-1	1	520.490	4.347	50	70		KIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cc(OC)c(OC)cc2OC)CC(=O)O4)cc1O	ZINC000217664509	571602207	/nfs/dbraw/zinc/60/22/07/571602207.db2.gz	LHIDUTOWRRLPAK-OAHLLOKOSA-N	-1	1	520.490	4.347	50	70		KIIAMM
COc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(OC)c(O)c6)oc-5c43)c(=O)c2c1	ZINC000217748084	571602512	/nfs/dbraw/zinc/60/25/12/571602512.db2.gz	GQVOMSIBGDMIRI-HNNXBMFYSA-N	-1	1	528.469	4.436	50	70		KIIAMM
COc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(OC)c(O)c6)oc-5c43)c(=O)c2c1	ZINC000217748160	571602532	/nfs/dbraw/zinc/60/25/32/571602532.db2.gz	GQVOMSIBGDMIRI-OAHLLOKOSA-N	-1	1	528.469	4.436	50	70		KIIAMM
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc([O-])c(Cl)c2)o1	ZINC000217780645	571602508	/nfs/dbraw/zinc/60/25/08/571602508.db2.gz	PPXMDHYNVZURIN-LJQANCHMSA-N	-1	1	508.958	4.439	50	70		KIIAMM
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc([O-])c(Cl)c2)o1	ZINC000217780738	571602543	/nfs/dbraw/zinc/60/25/43/571602543.db2.gz	PPXMDHYNVZURIN-IBGZPJMESA-N	-1	1	508.958	4.439	50	70		KIIAMM