smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])Cc1ccc([N+](=O)[O-])c(O)c1	118892611	169343674	/nfs/dbraw/zinc/34/36/74/169343674.db2.gz	USYXXSPSICUYRL-UHFFFAOYSA-N	-1	2	197.146	0.928	50	5		ACBALM
O=C([O-])c1ccc([N+](=O)[O-])c(O)c1	164913	169358405	/nfs/dbraw/zinc/35/84/05/169358405.db2.gz	XLDLRRGZWIEEHT-UHFFFAOYSA-N	-1	2	183.119	0.999	50	5		ACBALM
O=C([O-])c1cccc(O)c1[N+](=O)[O-]	1610714	169358652	/nfs/dbraw/zinc/35/86/52/169358652.db2.gz	KPDBKQKRDJPBRM-UHFFFAOYSA-N	-1	2	183.119	0.999	50	5		ACBALM
O=C([O-])c1cnc([N+](=O)[O-])c(O)c1	71254822	169359286	/nfs/dbraw/zinc/35/92/86/169359286.db2.gz	OODZZMDHMOPHHY-UHFFFAOYSA-N	-1	2	184.107	0.394	50	5	in-vitro	ACBALM
O=C([O-])Cc1ccc(O)c([N+](=O)[O-])c1	3861564	171215398	/nfs/dbraw/zinc/21/53/98/171215398.db2.gz	QBHBHOSRLDPIHG-UHFFFAOYSA-N	-1	2	197.146	0.928	50	5	in-man	ACBALM
O=Cc1cc([N+](=O)[O-])c([O-])cc1O	151796	351270278	/nfs/dbraw/zinc/27/02/78/351270278.db2.gz	MWDICCJVJOMHSI-UHFFFAOYSA-N	-1	2	183.119	0.819	50	5		ACBALM