smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C(=Cn1c([O-])cc(=O)[n-]c1=S)C(=O)Nc1ccccc1	ZINC000005854986	435994207	/nfs/dbraw/zinc/99/42/07/435994207.db2.gz	UWBXQPFWMMBWRS-DHZHZOJOSA-N	-2	3	331.353	0.731	40	30		ECEBHL
CCOC(=O)C(C#N)=N[N-]c1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC000001578138	209761578	/nfs/dbraw/zinc/76/15/78/209761578.db2.gz	LLGNKONMYLQGCG-FOWTUZBSSA-N	-2	3	338.345	0.366	40	30		ECEBHL
CCOC(=O)C(C#N)=N[N-]c1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC000017128834	436099552	/nfs/dbraw/zinc/09/95/52/436099552.db2.gz	LLGNKONMYLQGCG-VBKFSLOCSA-N	-2	3	338.345	0.366	40	30		ECEBHL
Cn1c([O-])c(N=Nc2ccc(C(=O)[O-])c(Cl)c2)c(=O)n(C)c1=O	ZINC000038290764	213206595	/nfs/dbraw/zinc/20/65/95/213206595.db2.gz	YCIVFDXSENGAQS-UHFFFAOYSA-N	-2	3	338.707	0.857	40	30		ECEBHL
Cn1c([O-])c(N=Nc2cc(C(=O)[O-])ccc2Cl)c(=O)n(C)c1=O	ZINC000038290768	289790668	/nfs/dbraw/zinc/79/06/68/289790668.db2.gz	MZKXZNDBUKLZKB-UHFFFAOYSA-N	-2	3	338.707	0.857	40	30		ECEBHL
COc1ccc(C([O-])=C2[C@@]3(C#N)C(=O)[N-]C(=O)[C@@]23C#N)cc1OC	ZINC000100243349	436547231	/nfs/dbraw/zinc/54/72/31/436547231.db2.gz	IVUCFDUKOWINOW-SFESLNEESA-N	-2	3	325.280	0.193	40	30		ECEBHL