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-])Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000003327976	210008123	/nfs/dbraw/zinc/00/81/23/210008123.db2.gz	WWVCWFIKHVIDDU-UHFFFAOYSA-N	-1	2	336.325	2.023	50	5		EEBALM
O=C([O-])/C=C/c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000000160414	462544543	/nfs/dbraw/zinc/54/45/43/462544543.db2.gz	XLTQPQRVDRARKQ-CMDGGOBGSA-N	-1	2	348.336	2.493	50	5		EEBALM
O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000004873562	304099599	/nfs/dbraw/zinc/09/95/99/304099599.db2.gz	QDVIDIGAHUWGSY-NXEZZACHSA-N	-1	2	340.719	2.472	50	5		EEBALM
O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000004873560	304175543	/nfs/dbraw/zinc/17/55/43/304175543.db2.gz	QDVIDIGAHUWGSY-UWVGGRQHSA-N	-1	2	340.719	2.472	50	5		EEBALM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F	ZINC000012880500	257975287	/nfs/dbraw/zinc/97/52/87/257975287.db2.gz	FIQSKGRJWRQQOE-UHFFFAOYSA-N	-1	2	340.288	2.233	50	5		EEBALM
O=C([O-])/C=C/c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000005150664	462646406	/nfs/dbraw/zinc/64/64/06/462646406.db2.gz	QFYRNZZUBLTWLR-JXMROGBWSA-N	-1	2	348.336	2.493	50	5		EEBALM
O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000004873559	304175822	/nfs/dbraw/zinc/17/58/22/304175822.db2.gz	QDVIDIGAHUWGSY-VHSXEESVSA-N	-1	2	340.719	2.472	50	5		EEBALM
O=C([O-])[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000004480185	304099641	/nfs/dbraw/zinc/09/96/41/304099641.db2.gz	QDVIDIGAHUWGSY-ZJUUUORDSA-N	-1	2	340.719	2.472	50	5		EEBALM