smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1	ZINC000001514804	210358657	/nfs/dbraw/zinc/35/86/57/210358657.db2.gz	SMZQLIHPCBNCKU-UHFFFAOYSA-N	-1	1	371.421	4.793	20	30		FJEDMM
C[C@@H]1Cc2sc([N-]C(=O)c3nc4cccnc4s3)c(C#N)c2[C@@H](C)C1	ZINC000568602113	568078998	/nfs/dbraw/zinc/07/89/98/568078998.db2.gz	QKKZODKCHKFFRK-UWVGGRQHSA-N	-1	1	368.487	4.563	20	30		FJEDMM
C[C@H]1Cc2sc([N-]C(=O)c3nc4cccnc4s3)c(C#N)c2[C@@H](C)C1	ZINC000568602116	568078975	/nfs/dbraw/zinc/07/89/75/568078975.db2.gz	QKKZODKCHKFFRK-ZJUUUORDSA-N	-1	1	368.487	4.563	20	30		FJEDMM
CCOc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1C	ZINC000603627379	568127451	/nfs/dbraw/zinc/12/74/51/568127451.db2.gz	BJAIYZTWNAXYPW-AWEZNQCLSA-N	-1	1	354.406	4.633	20	30		FJEDMM
CCOc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1C	ZINC000603627380	568127434	/nfs/dbraw/zinc/12/74/34/568127434.db2.gz	BJAIYZTWNAXYPW-CQSZACIVSA-N	-1	1	354.406	4.633	20	30		FJEDMM
C[C@@H]1C[C@H](C)Cc2sc([N-]C(=O)c3nc4cccnc4s3)c(C#N)c21	ZINC000568602115	568078996	/nfs/dbraw/zinc/07/89/96/568078996.db2.gz	QKKZODKCHKFFRK-VHSXEESVSA-N	-1	1	368.487	4.563	20	30		FJEDMM
CCOc1cc(-c2noc([C@H](C)c3cccc(C#N)c3)n2)cc(Cl)c1[O-]	ZINC000436658244	568253596	/nfs/dbraw/zinc/25/35/96/568253596.db2.gz	SXZBDVZGPJNLFJ-LLVKDONJSA-N	-1	1	369.808	4.518	20	30		FJEDMM
C[C@H]1Cc2sc([N-]C(=O)c3nc4cccnc4s3)c(C#N)c2[C@H](C)C1	ZINC000568602112	568078989	/nfs/dbraw/zinc/07/89/89/568078989.db2.gz	QKKZODKCHKFFRK-NXEZZACHSA-N	-1	1	368.487	4.563	20	30		FJEDMM
N#CC(=C([O-])c1ccc(Br)cc1)c1nc2ccccc2s1	ZINC000004069982	568370163	/nfs/dbraw/zinc/37/01/63/568370163.db2.gz	HUTXZSAOXVMLOO-GFCCVEGCSA-N	-1	1	357.232	4.549	20	30		FJEDMM
CCOc1cc(-c2noc([C@@H](C)c3cccc(C#N)c3)n2)cc(Cl)c1[O-]	ZINC000436658245	568253391	/nfs/dbraw/zinc/25/33/91/568253391.db2.gz	SXZBDVZGPJNLFJ-NSHDSACASA-N	-1	1	369.808	4.518	20	30		FJEDMM