smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)C(C2=C(C3=C([O-])C(=O)c4ccccc4C3=O)C(=O)c3ccccc3C2=O)=C1[O-]	ZINC000014285564	561739052	/nfs/dbraw/zinc/73/90/52/561739052.db2.gz	XAPDKPXVZVCLPZ-UHFFFAOYSA-N	-2	1	502.434	4.145	10	30		KIEEML
O=C1C(=O)C(C2=C(C3=C([O-])c4ccccc4C(=O)C3=O)C(=O)c3ccccc3C2=O)=C([O-])c2ccccc21	ZINC000014285564	561739050	/nfs/dbraw/zinc/73/90/50/561739050.db2.gz	XAPDKPXVZVCLPZ-UHFFFAOYSA-N	-2	1	502.434	4.145	10	30		KIEEML
O=[N+]([O-])c1ccc(NN=C(N=Nc2ccc(I)cc2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c([N+](=O)[O-])c1	ZINC000072131448	553642799	/nfs/dbraw/zinc/64/27/99/553642799.db2.gz	KPGWDPJPYNAZOF-ODHVPASWSA-N	-2	1	676.383	4.159	10	30	in-vitro	KIEEML
O=[N+]([O-])c1ccc(N=NC(=NNc2ccc(I)cc2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c([N+](=O)[O-])c1	ZINC000072131448	553642798	/nfs/dbraw/zinc/64/27/98/553642798.db2.gz	KPGWDPJPYNAZOF-ODHVPASWSA-N	-2	1	676.383	4.159	10	30	in-vitro	KIEEML