smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@@H](O)[C@@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O1	ZINC000022046723	523842908	/nfs/dbraw/zinc/84/29/08/523842908.db2.gz	LTSBWQNHBHAHAW-RZXAWCDISA-N	0	0	444.393	-1.789	10	5		IABERN
COC(=O)[C@@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O1	ZINC000022046733	523843449	/nfs/dbraw/zinc/84/34/49/523843449.db2.gz	LTSBWQNHBHAHAW-DGPLXJDWSA-N	0	0	444.393	-1.789	10	5		IABERN
COC(=O)[C@@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1	ZINC000044127284	557218882	/nfs/dbraw/zinc/21/88/82/557218882.db2.gz	LTSBWQNHBHAHAW-DGYIVEFISA-N	0	0	444.393	-1.789	10	5	in-vitro	IABERN