smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c([O-])ccc([N+](=O)[O-])c1C(=O)[O-]	687727302	571898450	/nfs/dbraw/zinc/89/84/50/571898450.db2.gz	DYQDBUHBVFZAAU-UHFFFAOYSA-N	-2	1	197.146	1.307	10	5		ADBEML
CC(=O)c1c([O-])ccc([N+](=O)[O-])c1[O-]	33823408	572036861	/nfs/dbraw/zinc/03/68/61/572036861.db2.gz	KHGINYCMMLJGTB-UHFFFAOYSA-N	-2	1	197.146	1.209	10	5		ADBEML
Cc1c([S-])ccc([N+](=O)[O-])c1[O-]	238535313	573839360	/nfs/dbraw/zinc/83/93/60/573839360.db2.gz	ZAKVHNBFSGJVNK-UHFFFAOYSA-N	-2	1	185.204	1.898	10	5		ADBEML
O=[N+]([O-])c1cc(O)c([S-])cc1[O-]	1500283	342945681	/nfs/dbraw/zinc/94/56/81/342945681.db2.gz	DOHKMYXSHJRZCR-UHFFFAOYSA-N	-2	1	187.176	1.295	10	5		ADBEML
COc1cc([O-])c([N+](=O)[O-])c([O-])c1	113043956	343756557	/nfs/dbraw/zinc/75/65/57/343756557.db2.gz	FUELYBCVVDMRMT-UHFFFAOYSA-N	-2	1	185.135	1.015	10	5		ADBEML