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-])c1ccc(N2C(=O)C[C@@H](Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)cc1	ZINC000102310407	209234214	/nfs/dbraw/zinc/23/42/14/209234214.db2.gz	BBOFMRFGTMKMQF-CYBMUJFWSA-N	-2	3	371.305	1.743	10	5		FDBEHL
CSCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000035686101	210185875	/nfs/dbraw/zinc/18/58/75/210185875.db2.gz	PJPVETXXSYEOOT-VIFPVBQESA-N	-2	3	368.820	1.733	10	5		FDBEHL
O=C([O-])c1cccc(N2C(=O)C[C@@H](Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)c1	ZINC000102310559	222293613	/nfs/dbraw/zinc/29/36/13/222293613.db2.gz	KHLDKBMJMPHDKQ-CYBMUJFWSA-N	-2	3	371.305	1.743	10	5		FDBEHL
COC(=O)Cc1c([O-])nc(SCc2ccc([N+](=O)[O-])cc2)[n-]c1=O	ZINC000091351917	524694399	/nfs/dbraw/zinc/69/43/99/524694399.db2.gz	KESZNPMFDDHSTA-UHFFFAOYSA-N	-2	3	351.340	1.392	10	5		FDBEHL