smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34	ZINC000003594314	194340122	/nfs/dbraw/zinc/34/01/22/194340122.db2.gz	OBJOZRVSMLPASY-UHFFFAOYSA-N	-3	0	458.447	2.030	50	5	in-vitro	JEBARL
COc1cc(S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c43	ZINC000014983171	522897652	/nfs/dbraw/zinc/89/76/52/522897652.db2.gz	CTERCLHSWSQHSD-UHFFFAOYSA-N	-3	0	472.474	2.333	50	5	in-vitro	JEBARL
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)n1	ZINC000020146238	555664752	/nfs/dbraw/zinc/66/47/52/555664752.db2.gz	XXXUZZAXDYNMDX-UHFFFAOYSA-N	-2	0	457.424	2.445	50	5		JEBARL
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc3ccc(S(=O)(=O)[O-])cc3cc2S(=O)(=O)[O-])cc1	ZINC000008452160	554598225	/nfs/dbraw/zinc/59/82/25/554598225.db2.gz	HZVJPNKGRLVKJP-UHFFFAOYSA-N	-2	0	489.461	2.009	50	5		JEBARL
O=C([O-])CCCCCn1c(=O)c2ccc3c(=O)n(CCCCCC(=O)[O-])c(=O)c4ccc(c1=O)c2c34	ZINC000008426939	554582277	/nfs/dbraw/zinc/58/22/77/554582277.db2.gz	LAIOEXMMHIFBFK-UHFFFAOYSA-N	-2	0	494.500	2.356	50	5		JEBARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=S)NC[C@H]1CCCO1	ZINC000009662902	555370096	/nfs/dbraw/zinc/37/00/96/555370096.db2.gz	IOKDHWBZOPEODU-CYBMUJFWSA-N	-2	0	495.539	2.064	50	5		JEBARL
COc1nccnc1[N-]S(=O)(=O)c1ccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000016309590	525077226	/nfs/dbraw/zinc/07/72/26/525077226.db2.gz	BKFWKFOJLFMISR-UHFFFAOYSA-N	-2	0	488.398	2.382	50	5		JEBARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=S)NC[C@@H]1CCCO1	ZINC000009662901	555370103	/nfs/dbraw/zinc/37/01/03/555370103.db2.gz	IOKDHWBZOPEODU-ZDUSSCGKSA-N	-2	0	495.539	2.064	50	5		JEBARL