smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(N2C(=O)[C@@H]3ON=C(c4ccc(Br)cc4)C3=C2O)c(C)cc1[N+](=O)[O-]	ZINC000103991977	569839773	/nfs/dbraw/zinc/83/97/73/569839773.db2.gz	VAOUZQHWGAIHCX-NVXWUHKLSA-N	-1	2	460.240	2.967	50	5		JFBALM
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000009511918	555301043	/nfs/dbraw/zinc/30/10/43/555301043.db2.gz	DRKCZAXCXOWLRO-UHFFFAOYSA-N	-1	2	477.476	2.895	50	5		JFBALM
CCc1nnc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)s1	ZINC000002060545	554016781	/nfs/dbraw/zinc/01/67/81/554016781.db2.gz	WPKLLAJYXHLWJB-UHFFFAOYSA-N	-1	2	469.526	2.610	50	5		JFBALM
COc1cc(N2C(=O)[C@@H]3ON=C(c4ccc(Br)cc4)C3=C2O)c(C)cc1[N+](=O)[O-]	ZINC000103991973	569839724	/nfs/dbraw/zinc/83/97/24/569839724.db2.gz	VAOUZQHWGAIHCX-DOTOQJQBSA-N	-1	2	460.240	2.967	50	5		JFBALM
Cc1cc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)nc(C)n1	ZINC000002737124	554319738	/nfs/dbraw/zinc/31/97/38/554319738.db2.gz	RNBWKROKAFLMCP-UHFFFAOYSA-N	-1	2	463.497	2.603	50	5		JFBALM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3nccs3)cc2)c([N+](=O)[O-])c1	ZINC000002863055	562925954	/nfs/dbraw/zinc/92/59/54/562925954.db2.gz	JSTYRNLZQMDVCH-UHFFFAOYSA-N	-1	2	454.511	2.961	50	5		JFBALM
COc1cc(N2C(=O)[C@H]3ON=C(c4ccc(Br)cc4)C3=C2O)c(C)cc1[N+](=O)[O-]	ZINC000103991967	569839745	/nfs/dbraw/zinc/83/97/45/569839745.db2.gz	VAOUZQHWGAIHCX-RDJZCZTQSA-N	-1	2	460.240	2.967	50	5		JFBALM