smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(C(c2ccc([O-])c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)ccc1[O-]	ZINC000021985628	527328595	/nfs/dbraw/zinc/32/85/95/527328595.db2.gz	NMRDKGOPQYFYTD-UHFFFAOYSA-N	-2	0	426.225	4.325	50	5		IIBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1cccc2ccccc21	ZINC000016361239	568878620	/nfs/dbraw/zinc/87/86/20/568878620.db2.gz	WPYPGENACIXLTI-BENRWUELSA-N	-2	0	445.431	4.295	50	5		IIBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1cccc2ccccc21	ZINC000009234885	569513975	/nfs/dbraw/zinc/51/39/75/569513975.db2.gz	WPYPGENACIXLTI-ZRDIBKRKSA-N	-2	0	445.431	4.295	50	5		IIBARL
O=C([O-])c1ccccc1-c1cc(C(=O)c2ccccc2[O-])cn2c(=O)c3ccccc3nc12	ZINC000014246069	556406085	/nfs/dbraw/zinc/40/60/85/556406085.db2.gz	FHDKQTMYRUSXFN-UHFFFAOYSA-N	-2	0	436.423	4.150	50	5		IIBARL
O=c1[n-]c(C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000033557917	557411000	/nfs/dbraw/zinc/41/10/00/557411000.db2.gz	MUXIQXFMAXZCCE-DAXSKMNVSA-N	-2	0	434.235	4.440	50	5		IIBARL