smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])N[N-]C(=O)c1cc(F)c(Cl)cc1Cl	ZINC000832749057	605188198	/nfs/dbraw/zinc/18/81/98/605188198.db2.gz	ZWMYHHGXHRTZSD-UHFFFAOYSA-N	-2	3	267.043	2.045	20	50		CEGDHL
CC(=NNC(=O)c1ccccc1[O-])c1ccc(C(=O)[O-])cc1	ZINC000825804864	604632828	/nfs/dbraw/zinc/63/28/28/604632828.db2.gz	ZUZNOVWKDQJFFA-UHFFFAOYSA-N	-2	3	298.298	2.244	20	50		CEGDHL
CC(=NNC(=O)[O-])c1ccc(Br)cc1[O-]	ZINC000823531897	603603521	/nfs/dbraw/zinc/60/35/21/603603521.db2.gz	FHCNPQXFUUPSLM-UHFFFAOYSA-N	-2	3	273.086	2.146	20	50		CEGDHL
CC(=NNC(=O)c1ccc([O-])cc1)c1ccc(C(=O)[O-])cc1	ZINC000825804845	604632924	/nfs/dbraw/zinc/63/29/24/604632924.db2.gz	YFJJEJJMJRWDDA-UHFFFAOYSA-N	-2	3	298.298	2.244	20	50		CEGDHL