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([N-]c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)ncn1	ZINC000006088743	568821778	/nfs/dbraw/zinc/82/17/78/568821778.db2.gz	OTJMARXYIHWIGP-UHFFFAOYSA-N	-2	1	447.389	2.241	50	5		IEBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OC	ZINC000013955262	556975735	/nfs/dbraw/zinc/97/57/35/556975735.db2.gz	WQJMZAAVYHESRT-ONEGZZNKSA-N	-2	1	445.169	2.176	50	5		IEBAML
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000008686870	562962869	/nfs/dbraw/zinc/96/28/69/562962869.db2.gz	BIONSENAAARHRD-UHFFFAOYSA-N	-2	1	429.476	2.132	50	5		IEBAML
CCOC(=O)COc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000009295535	569520371	/nfs/dbraw/zinc/52/03/71/569520371.db2.gz	NFCZKBZISYAGPP-ZZXKWVIFSA-N	-2	1	440.206	2.259	50	5		IEBAML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Cl)c1OCC(=O)OC	ZINC000009234905	569294634	/nfs/dbraw/zinc/29/46/34/569294634.db2.gz	KVKLNRRFFCNUHB-SNAWJCMRSA-N	-2	1	425.781	2.158	50	5		IEBAML