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-])c1ccc2nc(/C=C\c3ccc([N+](=O)[O-])c(O)c3)oc2c1	ZINC000550007137	315113697	/nfs/dbraw/zinc/11/36/97/315113697.db2.gz	MHOOKWPBRCXSEB-KXFIGUGUSA-N	-1	2	326.264	3.310	10	5		EGBELM
O=C([O-])c1ccc2nc(/C=C\c3ccc(O)c([N+](=O)[O-])c3)oc2c1	ZINC000439268200	309829964	/nfs/dbraw/zinc/82/99/64/309829964.db2.gz	DQKYVMGMVZBTRI-KXFIGUGUSA-N	-1	2	326.264	3.310	10	5		EGBELM
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(F)cc(F)c1O	ZINC001152455530	1379936741	/nfs/dbraw/zinc/93/67/41/1379936741.db2.gz	MWMDUSUDWPXQNG-UHFFFAOYSA-N	-1	2	344.657	3.190	10	5		EGBELM
O=C([O-])c1ccc2nc(/C=C/c3ccc(O)c([N+](=O)[O-])c3)oc2c1	ZINC000439268201	309829945	/nfs/dbraw/zinc/82/99/45/309829945.db2.gz	DQKYVMGMVZBTRI-QHHAFSJGSA-N	-1	2	326.264	3.310	10	5		EGBELM
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(O)cc(F)cc1F	ZINC000611484541	460374722	/nfs/dbraw/zinc/37/47/22/460374722.db2.gz	TVZQLENPUSVPLS-UHFFFAOYSA-N	-1	2	344.657	3.190	10	5		EGBELM
O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ncccc3O)cs2)c1	ZINC000355287623	166154792	/nfs/dbraw/zinc/15/47/92/166154792.db2.gz	HNVBAUCPQYFXDE-UHFFFAOYSA-N	-1	2	342.380	3.109	10	5		EGBELM
O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(O)ccc1[N+](=O)[O-]	ZINC000354758212	166024224	/nfs/dbraw/zinc/02/42/24/166024224.db2.gz	CTYRTKNKLUERKP-UHFFFAOYSA-N	-1	2	326.667	3.051	10	5		EGBELM
O=C([O-])c1ccc2nc(/C=C/c3ccc([N+](=O)[O-])c(O)c3)oc2c1	ZINC000550007138	315113780	/nfs/dbraw/zinc/11/37/80/315113780.db2.gz	MHOOKWPBRCXSEB-QHHAFSJGSA-N	-1	2	326.264	3.310	10	5		EGBELM