smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc(Cl)c1[O-]	ZINC000007587113	204243977	/nfs/dbraw/zinc/24/39/77/204243977.db2.gz	QEBCZGJFORHNRL-ZROIWOOFSA-N	-2	1	397.814	4.187	50	30		GIEAML
O=C1c2c([O-])n(-c3ccccc3)c(=O)c3cccc(c32)C([O-])=C1Cc1ccccc1	ZINC000101492314	527119200	/nfs/dbraw/zinc/11/92/00/527119200.db2.gz	LLXFBUACHFYDPI-UHFFFAOYSA-N	-2	1	395.414	4.404	50	30		GIEAML
CC[C@H](C)C(=O)[N-]C([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F	ZINC000002257055	523831497	/nfs/dbraw/zinc/83/14/97/523831497.db2.gz	MESJHMGNYRMVJJ-ZETCQYMHSA-N	-2	1	378.263	4.360	50	30		GIEAML
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1[O-]	ZINC000100149564	520899247	/nfs/dbraw/zinc/89/92/47/520899247.db2.gz	MQCFIIDIABTEOH-PTGBLXJZSA-N	-2	1	391.456	4.015	50	30		GIEAML
CC[C@@H](C)C(=O)[N-]C([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F	ZINC000002257054	521912224	/nfs/dbraw/zinc/91/22/24/521912224.db2.gz	MESJHMGNYRMVJJ-SSDOTTSWSA-N	-2	1	378.263	4.360	50	30		GIEAML
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1[O-]	ZINC000100149560	520898948	/nfs/dbraw/zinc/89/89/48/520898948.db2.gz	MQCFIIDIABTEOH-NKFKGCMQSA-N	-2	1	391.456	4.015	50	30		GIEAML
CC(C)CC(=O)[N-]C([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F	ZINC000003103213	570328371	/nfs/dbraw/zinc/32/83/71/570328371.db2.gz	OETVREQTKQDLGD-UHFFFAOYSA-N	-2	1	378.263	4.360	50	30		GIEAML