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([N+](=O)[O-])c([P@](=O)([O-])O)c1	ZINC000001870312	358991545	/nfs/dbraw/zinc/99/15/45/358991545.db2.gz	PWPIHQZKGQOGKL-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5	in-vitro	BCBBLL
O=C([O-])c1ccc([N+](=O)[O-])c([P@@](=O)([O-])O)c1	ZINC000001870312	358991548	/nfs/dbraw/zinc/99/15/48/358991548.db2.gz	PWPIHQZKGQOGKL-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5	in-vitro	BCBBLL
O=C([O-])c1ccc([P@](=O)([O-])O)c([N+](=O)[O-])c1	ZINC000001870297	358991178	/nfs/dbraw/zinc/99/11/78/358991178.db2.gz	ODZIVPXSEQHKBS-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1ccc([P@@](=O)([O-])O)c([N+](=O)[O-])c1	ZINC000001870297	358991183	/nfs/dbraw/zinc/99/11/83/358991183.db2.gz	ODZIVPXSEQHKBS-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1cc([N+](=O)[O-])ccc1[P@](=O)([O-])O	ZINC000001870301	358991742	/nfs/dbraw/zinc/99/17/42/358991742.db2.gz	MCPOAUOJYJEJLX-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1cc([N+](=O)[O-])ccc1[P@@](=O)([O-])O	ZINC000001870301	358991746	/nfs/dbraw/zinc/99/17/46/358991746.db2.gz	MCPOAUOJYJEJLX-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1ccc([P@](=O)([O-])O)cc1[N+](=O)[O-]	ZINC000001870298	358991693	/nfs/dbraw/zinc/99/16/93/358991693.db2.gz	GIUVQJYQXOHQFI-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1ccc([P@@](=O)([O-])O)cc1[N+](=O)[O-]	ZINC000001870298	358991697	/nfs/dbraw/zinc/99/16/97/358991697.db2.gz	GIUVQJYQXOHQFI-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1cccc([P@](=O)([O-])O)c1[N+](=O)[O-]	ZINC000001870299	358991408	/nfs/dbraw/zinc/99/14/08/358991408.db2.gz	BZVIJENWCVSYBO-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1cccc([P@@](=O)([O-])O)c1[N+](=O)[O-]	ZINC000001870299	358991411	/nfs/dbraw/zinc/99/14/11/358991411.db2.gz	BZVIJENWCVSYBO-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1cc([N+](=O)[O-])cc([P@](=O)([O-])O)c1	ZINC000001726096	357181283	/nfs/dbraw/zinc/18/12/83/357181283.db2.gz	JEBYQEOUNSVSMV-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1cc([N+](=O)[O-])cc([P@@](=O)([O-])O)c1	ZINC000001726096	357181287	/nfs/dbraw/zinc/18/12/87/357181287.db2.gz	JEBYQEOUNSVSMV-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1c([N+](=O)[O-])cccc1[P@](=O)([O-])O	ZINC000001870300	388011029	/nfs/dbraw/zinc/01/10/29/388011029.db2.gz	XQRYIAGXGLNCHK-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1c([N+](=O)[O-])cccc1[P@@](=O)([O-])O	ZINC000001870300	388011035	/nfs/dbraw/zinc/01/10/35/388011035.db2.gz	XQRYIAGXGLNCHK-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1cc([P@](=O)([O-])O)ccc1[N+](=O)[O-]	ZINC000001870293	358991444	/nfs/dbraw/zinc/99/14/44/358991444.db2.gz	VYNWQFVKKHWKCV-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=C([O-])c1cc([P@@](=O)([O-])O)ccc1[N+](=O)[O-]	ZINC000001870293	358991450	/nfs/dbraw/zinc/99/14/50/358991450.db2.gz	VYNWQFVKKHWKCV-UHFFFAOYSA-N	-2	2	247.099	0.096	40	5		BCBBLL
O=c1[nH]c(=O)c([N+](=O)[O-])c(Nc2ccccc2)[nH]1	ZINC000006575455	387217698	/nfs/dbraw/zinc/21/76/98/387217698.db2.gz	VNKWKVWBKYIBNE-UHFFFAOYSA-N	-2	2	248.198	0.715	40	5		BCBBLL