smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(NC(=O)c2n[n-]c([N+](=O)[O-])c2Br)cc1	ZINC000008440695	206224934	/nfs/dbraw/zinc/22/49/34/206224934.db2.gz	FRNBQUPMCWFZNU-UHFFFAOYSA-N	-1	3	390.175	0.980	40	5		GCBBHM
NS(=O)(=O)c1ccc(NC(=O)c2[n-]nc([N+](=O)[O-])c2Br)cc1	ZINC000008440695	206224939	/nfs/dbraw/zinc/22/49/39/206224939.db2.gz	FRNBQUPMCWFZNU-UHFFFAOYSA-N	-1	3	390.175	0.980	40	5		GCBBHM
CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000071979973	211067680	/nfs/dbraw/zinc/06/76/80/211067680.db2.gz	JCCQIQDZWLWYAN-CYBMUJFWSA-N	-1	3	394.340	0.851	40	5		GCBBHM
CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000071979972	205301487	/nfs/dbraw/zinc/30/14/87/205301487.db2.gz	JCCQIQDZWLWYAN-ZDUSSCGKSA-N	-1	3	394.340	0.851	40	5		GCBBHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNS(=O)(=O)c1ccccc1	ZINC000020530107	530919278	/nfs/dbraw/zinc/91/92/78/530919278.db2.gz	CLLBTAWZKOYFNU-UHFFFAOYSA-N	-1	3	385.423	0.852	40	5		GCBBHM