smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100982796	557209893	/nfs/dbraw/zinc/20/98/93/557209893.db2.gz	BQXUNUSPFYOZST-GDBMZVCRSA-N	-2	3	428.788	2.155	50	5		IEBAHL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1	ZINC000035587993	527366318	/nfs/dbraw/zinc/36/63/18/527366318.db2.gz	XBORQGZBYPPHGD-UHFFFAOYSA-N	-2	3	444.447	2.077	50	5		IEBAHL
COc1[n-]nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)c1[N+](=O)[O-]	ZINC000008450379	556181305	/nfs/dbraw/zinc/18/13/05/556181305.db2.gz	STKBCMJBLWWPGL-UHFFFAOYSA-N	-2	3	447.429	2.388	50	5		IEBAHL
COc1n[n-]c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)c1[N+](=O)[O-]	ZINC000008450379	556181308	/nfs/dbraw/zinc/18/13/08/556181308.db2.gz	STKBCMJBLWWPGL-UHFFFAOYSA-N	-2	3	447.429	2.388	50	5		IEBAHL
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100982799	557209992	/nfs/dbraw/zinc/20/99/92/557209992.db2.gz	BQXUNUSPFYOZST-ZBFHGGJFSA-N	-2	3	428.788	2.155	50	5		IEBAHL