smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)n[nH]1	ZINC000543761337	306069783	/nfs/dbraw/zinc/06/97/83/306069783.db2.gz	WBUPOYAXJZBQNT-UHFFFAOYSA-N	-2	2	347.356	1.533	20	30		EDEDLL
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C#N)c(O)c1	ZINC000188248730	442729059	/nfs/dbraw/zinc/72/90/59/442729059.db2.gz	ZJQOJBBWAHOCIX-UHFFFAOYSA-N	-2	2	340.364	1.834	20	30		EDEDLL
O=[N+]([O-])c1ccc(C=NNCc2ccc(-c3nn[nH]n3)cc2)cc1O	ZINC000823635485	594223552	/nfs/dbraw/zinc/22/35/52/594223552.db2.gz	XTKSAEVFCPYLIX-UHFFFAOYSA-N	-2	2	339.315	1.604	20	30		EDEDLL
CC(=NNc1nnc(C)c(=O)[nH]1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823962968	593895535	/nfs/dbraw/zinc/89/55/35/593895535.db2.gz	TXTSKZHLUXKRSD-UHFFFAOYSA-N	-2	2	329.299	1.041	20	30		EDEDLL