smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(F)c(C(=O)[N-]NC(=O)[O-])cc1F	ZINC000830055522	603935742	/nfs/dbraw/zinc/93/57/42/603935742.db2.gz	UHPIXMIPXAOMKS-UHFFFAOYSA-N	-2	3	230.170	1.186	20	50		BDGDHL
Cc1cc(C(=O)[N-]NC(=O)[O-])c(F)cc1F	ZINC000829961233	604052197	/nfs/dbraw/zinc/05/21/97/604052197.db2.gz	DGPUEGCWZSZGFE-UHFFFAOYSA-N	-2	3	230.170	1.186	20	50		BDGDHL
CC(C)c1cccc(C(=O)[N-]NC(=O)[O-])n1	ZINC000824470427	604823882	/nfs/dbraw/zinc/82/38/82/604823882.db2.gz	PMVOGJNGVXQXMM-UHFFFAOYSA-N	-2	3	223.232	1.117	20	50		BDGDHL
CCC(=NNC(=O)[O-])c1ccc([O-])c(F)c1	ZINC000828548531	602179037	/nfs/dbraw/zinc/17/90/37/602179037.db2.gz	BFCWYRQVQFKXBM-UHFFFAOYSA-N	-2	3	226.207	1.913	20	50		BDGDHL
CC(=NNC(=O)[O-])c1ccc([O-])c(F)c1	ZINC000736121022	978303314	/nfs/dbraw/zinc/30/33/14/978303314.db2.gz	HUQDKAIFHRPAHQ-UHFFFAOYSA-N	-2	3	212.180	1.523	20	50		BDGDHL
CC(=NNC(=O)[O-])c1ccc([O-])cc1F	ZINC000736121026	978303173	/nfs/dbraw/zinc/30/31/73/978303173.db2.gz	HXPXJOMJAIJDDB-UHFFFAOYSA-N	-2	3	212.180	1.523	20	50		BDGDHL
O=C([O-])N[N-]C(=O)c1cccc(Cl)c1F	ZINC000832748034	604283904	/nfs/dbraw/zinc/28/39/04/604283904.db2.gz	BSGYVWCGYHBJKO-UHFFFAOYSA-N	-2	3	232.598	1.392	20	50		BDGDHL
O=C([O-])N[N-]C(=O)c1cccc(F)c1Cl	ZINC000832748623	603217184	/nfs/dbraw/zinc/21/71/84/603217184.db2.gz	NXPKDKGTLYZBDA-UHFFFAOYSA-N	-2	3	232.598	1.392	20	50		BDGDHL
O=C([O-])NN=Cc1c([O-])cccc1Cl	ZINC000834250964	606046506	/nfs/dbraw/zinc/04/65/06/606046506.db2.gz	PTYKRGQXZWXSPT-UHFFFAOYSA-N	-2	3	214.608	1.647	20	50		BDGDHL
COc1cc(/C=C(\C#N)C(=O)[O-])cc(OC)c1[O-]	ZINC000007155444	956879823	/nfs/dbraw/zinc/87/98/23/956879823.db2.gz	NDBVLMVMOJCWHU-FPYGCLRLSA-N	-2	3	249.222	1.401	20	50		BDGDHL