smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@]12CC(=O)O[C@]13C(=O)c1c(O)c4c5c(c(O)cc4cc1C(=O)[C@]3(O[C@H]1CC[C@H](O)[C@H](C)O1)CO2)C(=O)N(C)C5	ZINC000003951607	560191679	/nfs/dbraw/zinc/19/16/79/560191679.db2.gz	XFQJOLWXLJXJSV-VUAGTGNDSA-N	0	2	569.519	0.916	1	10	in-vitro	KCCFLN
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](c1nn[nH]n1)[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1nn[nH]n1	ZINC000064447186	562705358	/nfs/dbraw/zinc/70/53/58/562705358.db2.gz	UBWKCYKMOLBASG-IABMMNSOSA-N	0	2	522.434	0.831	1	10		KCCFLN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CNC(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000169359522	562864074	/nfs/dbraw/zinc/86/40/74/562864074.db2.gz	BIPBRLXCYMTTCM-ZMJJUXQYSA-N	0	2	738.621	0.408	1	10		KCCFLN