smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O[P@](=O)([O-])O)cc1	ZINC000001529638	356464161	/nfs/dbraw/zinc/46/41/61/356464161.db2.gz	XZKIHKMTEMTJQX-UHFFFAOYSA-N	-1	2	219.089	1.066	50	5	in-man,metabolite	BDBALM
O=[N+]([O-])c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000001529638	356464163	/nfs/dbraw/zinc/46/41/63/356464163.db2.gz	XZKIHKMTEMTJQX-UHFFFAOYSA-N	-1	2	219.089	1.066	50	5	in-man,metabolite	BDBALM
O=C([O-])c1cc([N+](=O)[O-])c(O)cc1Cl	ZINC000087489317	386474507	/nfs/dbraw/zinc/47/45/07/386474507.db2.gz	POXKNUFPZVKHIL-UHFFFAOYSA-N	-1	2	217.564	1.652	50	5		BDBALM
O=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1O	ZINC000022520870	398319074	/nfs/dbraw/zinc/31/90/74/398319074.db2.gz	SIYGNKVPVGTIHB-UHFFFAOYSA-N	-1	2	217.564	1.652	50	5		BDBALM
O=c1[nH]cc(Br)c([O-])c1[N+](=O)[O-]	ZINC000005491119	385132211	/nfs/dbraw/zinc/13/22/11/385132211.db2.gz	PUAJVHSNEHQMNU-UHFFFAOYSA-N	-1	2	234.993	1.164	50	5		BDBALM
O=C([O-])c1cc(O)c(F)cc1[N+](=O)[O-]	ZINC000050019233	383889293	/nfs/dbraw/zinc/88/92/93/383889293.db2.gz	XEQZNNJOVGASTE-UHFFFAOYSA-N	-1	2	201.109	1.138	50	5		BDBALM
O=[N+]([O-])c1ccc(O)c(Br)c1[O-]	ZINC000169725169	387971963	/nfs/dbraw/zinc/97/19/63/387971963.db2.gz	RBZPILPWQWFMNE-UHFFFAOYSA-N	-1	2	234.005	1.769	50	5		BDBALM
O=C([O-])CCc1ccc(O)c([N+](=O)[O-])c1	ZINC000002507923	388838653	/nfs/dbraw/zinc/83/86/53/388838653.db2.gz	KPJMKEOLALLMDY-UHFFFAOYSA-N	-1	2	211.173	1.318	50	5		BDBALM
O=[N+]([O-])c1cccc(O[P@](=O)([O-])O)c1	ZINC000005785202	350595587	/nfs/dbraw/zinc/59/55/87/350595587.db2.gz	XBUUVLVJXNRBPN-UHFFFAOYSA-N	-1	2	219.089	1.066	50	5		BDBALM
O=[N+]([O-])c1cccc(O[P@@](=O)([O-])O)c1	ZINC000005785202	350595591	/nfs/dbraw/zinc/59/55/91/350595591.db2.gz	XBUUVLVJXNRBPN-UHFFFAOYSA-N	-1	2	219.089	1.066	50	5		BDBALM