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-])c1c([S-])cccc1[N+](=O)[O-]	687727517	571892779	/nfs/dbraw/zinc/89/27/79/571892779.db2.gz	UFRBTUVMJLYQNQ-UHFFFAOYSA-N	-2	0	199.187	1.582	10	5		ADBERL
Cc1ccc([O-])c([N+](=O)[O-])c1C(=O)[O-]	687728660	571909396	/nfs/dbraw/zinc/90/93/96/571909396.db2.gz	KGVZQAIZFIZSJD-UHFFFAOYSA-N	-2	0	197.146	1.307	10	5		ADBERL
Cc1c([S-])ccc([N+](=O)[O-])c1O	238535313	573839356	/nfs/dbraw/zinc/83/93/56/573839356.db2.gz	ZAKVHNBFSGJVNK-UHFFFAOYSA-N	-2	0	185.204	1.898	10	5		ADBERL
O=C([O-])c1cc([N+](=O)[O-])ccc1[S-]	34108885	169356512	/nfs/dbraw/zinc/35/65/12/169356512.db2.gz	YHKUPPYODIHLRV-UHFFFAOYSA-N	-2	0	199.187	1.582	10	5		ADBERL
O=C([O-])c1cccc([S-])c1[N+](=O)[O-]	39207596	169358677	/nfs/dbraw/zinc/35/86/77/169358677.db2.gz	DUFIJRYDTNSZQY-UHFFFAOYSA-N	-2	0	199.187	1.582	10	5		ADBERL
O=[N+]([O-])c1cc(O)c([S-])cc1O	1500283	342945680	/nfs/dbraw/zinc/94/56/80/342945680.db2.gz	DOHKMYXSHJRZCR-UHFFFAOYSA-N	-2	0	187.176	1.295	10	5		ADBERL
O=C([O-])c1ccc([S-])cc1[N+](=O)[O-]	34411489	343118462	/nfs/dbraw/zinc/11/84/62/343118462.db2.gz	GITBSGCBOYJXHA-UHFFFAOYSA-N	-2	0	199.187	1.582	10	5		ADBERL
Cc1ccc([N+](=O)[O-])c([O-])c1C(=O)[O-]	39084385	343197326	/nfs/dbraw/zinc/19/73/26/343197326.db2.gz	MZLBVXGCENMMTP-UHFFFAOYSA-N	-2	0	197.146	1.307	10	5		ADBERL