smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=S)NC3=O)cc2)nc(OC)n1	ZINC000003066996	194223681	/nfs/dbraw/zinc/22/36/81/194223681.db2.gz	FUKOODDDPVUEHZ-UHFFFAOYSA-N	-2	3	464.485	0.121	50	10		JCCAHL
O=C1c2c([O-])c(S(=O)(=O)[O-])cc([N+](=O)[O-])c2C(=O)c2c1c([O-])c(S(=O)(=O)[O-])cc2[N+](=O)[O-]	ZINC000004091258	554473134	/nfs/dbraw/zinc/47/31/34/554473134.db2.gz	JJRLFGKLVBSIQX-UHFFFAOYSA-N	-4	3	490.336	0.183	50	10		JCCAHL
O=C1c2c([O-])c(S(=O)(=O)[O-])cc([N+](=O)[O-])c2C(=O)c2c(O)c(S(=O)(=O)[O-])cc([N+](=O)[O-])c21	ZINC000004792022	194399892	/nfs/dbraw/zinc/39/98/92/194399892.db2.gz	OPZUWDAYFQMSMY-UHFFFAOYSA-N	-3	3	490.336	0.183	50	10		JCCAHL
O=C1c2c([O-])c(S(=O)(=O)[O-])cc([N+](=O)[O-])c2C(=O)c2c([O-])c(S(=O)(=O)[O-])cc([N+](=O)[O-])c21	ZINC000004792022	194399889	/nfs/dbraw/zinc/39/98/89/194399889.db2.gz	OPZUWDAYFQMSMY-UHFFFAOYSA-N	-4	3	490.336	0.183	50	10		JCCAHL
CN(c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000016188738	523636404	/nfs/dbraw/zinc/63/64/04/523636404.db2.gz	JLMVVRPIUGOZFK-UHFFFAOYSA-N	-2	3	459.418	0.953	50	10		JCCAHL