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-])c1cc(OCc2ccc(F)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000216846137	426561925	/nfs/dbraw/zinc/56/19/25/426561925.db2.gz	QDKVRNLXYLGLDK-UHFFFAOYSA-N	-2	3	307.233	2.717	40	70		DFIBHL
O=C([O-])c1cc(OCc2cccc(F)c2)cc([N+](=O)[O-])c1[O-]	ZINC000216846180	426562909	/nfs/dbraw/zinc/56/29/09/426562909.db2.gz	CQUFEGLNTINLSC-UHFFFAOYSA-N	-2	3	307.233	2.717	40	70		DFIBHL
Cc1nc(-c2ccc(C(C)(C)C)cc2)[n-]c(=O)c1CC(=O)[O-]	ZINC000217394442	542877032	/nfs/dbraw/zinc/87/70/32/542877032.db2.gz	CRANCBGHLFQZKL-UHFFFAOYSA-N	-2	3	300.358	2.670	40	70		DFIBHL
Cc1ccccc1COc1cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000216753568	563941484	/nfs/dbraw/zinc/94/14/84/563941484.db2.gz	ZYYQDQWPPMUVEV-UHFFFAOYSA-N	-2	3	303.270	2.886	40	70		DFIBHL
O=C([O-])c1cc(OCc2ccccc2F)cc([N+](=O)[O-])c1[O-]	ZINC000216846226	426562201	/nfs/dbraw/zinc/56/22/01/426562201.db2.gz	UHMSXAQYYRAGQY-UHFFFAOYSA-N	-2	3	307.233	2.717	40	70		DFIBHL
Cc1nc(-c2cc(Cl)cc(Cl)c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000217394342	542877055	/nfs/dbraw/zinc/87/70/55/542877055.db2.gz	BXVGWJRGLWMWON-UHFFFAOYSA-N	-2	3	313.140	2.679	40	70		DFIBHL
Cc1ccc(COc2cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c2)cc1	ZINC000216753433	563941392	/nfs/dbraw/zinc/94/13/92/563941392.db2.gz	SURSGQJXNKAHKX-UHFFFAOYSA-N	-2	3	303.270	2.886	40	70		DFIBHL
CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-]	ZINC000217710683	542878058	/nfs/dbraw/zinc/87/80/58/542878058.db2.gz	RRHNDRIODKLTNU-UHFFFAOYSA-N	-2	3	320.370	2.617	40	70		DFIBHL
Cc1cccc(COc2cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c2)c1	ZINC000216932448	426562904	/nfs/dbraw/zinc/56/29/04/426562904.db2.gz	VNPDUBZJIXEXPR-UHFFFAOYSA-N	-2	3	303.270	2.886	40	70		DFIBHL