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-])C[C@H](C(=O)Oc1cc(O)ccc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225494651	811814969	/nfs/dbraw/zinc/81/49/69/811814969.db2.gz	UPITWCIKEODXQW-QUBYGPBYSA-N	-2	2	329.217	-0.258	20	5		EBBDLL
O=C([O-])C[C@@H](C(=O)Oc1cc(O)ccc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225494649	811814521	/nfs/dbraw/zinc/81/45/21/811814521.db2.gz	UPITWCIKEODXQW-LHLIQPBNSA-N	-2	2	329.217	-0.258	20	5		EBBDLL
O=C([O-])C[C@H](C(=O)Oc1cc(O)ccc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225494654	811815087	/nfs/dbraw/zinc/81/50/87/811815087.db2.gz	UPITWCIKEODXQW-WKEGUHRASA-N	-2	2	329.217	-0.258	20	5		EBBDLL
O=C([O-])C[C@@H](C(=O)Oc1cc(O)ccc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225494646	811814941	/nfs/dbraw/zinc/81/49/41/811814941.db2.gz	UPITWCIKEODXQW-LDWIPMOCSA-N	-2	2	329.217	-0.258	20	5		EBBDLL