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)c1cnc(=NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)[n-]c1C	ZINC000825564594	609397390	/nfs/dbraw/zinc/39/73/90/609397390.db2.gz	AQPSKYMPUHQADJ-UHFFFAOYSA-N	-2	1	373.337	-1.123	20	50		FAGDML
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F	ZINC000826138343	609530318	/nfs/dbraw/zinc/53/03/18/609530318.db2.gz	QJJPHYGBAAVCHR-UHFFFAOYSA-N	-2	1	373.326	-1.329	20	50		FAGDML
O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cc1F	ZINC000834066211	605392757	/nfs/dbraw/zinc/39/27/57/605392757.db2.gz	QWWGKPIVJTVJJV-UHFFFAOYSA-N	-4	1	365.295	-1.134	20	50		FAGDML
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2	ZINC000834203998	605394089	/nfs/dbraw/zinc/39/40/89/605394089.db2.gz	QWVSZOANOBUEBD-UHFFFAOYSA-N	-3	1	363.373	-1.407	20	50		FAGDML