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-])c1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000036976958	172843966	/nfs/dbraw/zinc/84/39/66/172843966.db2.gz	WDUXZBYXPZWKEF-UHFFFAOYSA-N	-2	3	298.301	2.668	10	5		CFBEHL
O=C([O-])Cc1cc(=O)c2c([O-])c3ccccc3ccc-2c1	ZINC000026398213	372318474	/nfs/dbraw/zinc/31/84/74/372318474.db2.gz	MJGBDVAWWMDDGW-UHFFFAOYSA-N	-2	3	280.279	2.686	10	5		CFBEHL
Cc1c([O-])ccc2c(=O)c3ccc([O-])c(C)c3oc12	ZINC000146988012	347946431	/nfs/dbraw/zinc/94/64/31/347946431.db2.gz	QWUCRSRIMRTCTF-UHFFFAOYSA-N	-2	3	256.257	2.974	10	5		CFBEHL
O=C([O-])c1ccc([O-])cc1-c1cccc([N+](=O)[O-])c1	ZINC000536949497	348650951	/nfs/dbraw/zinc/65/09/51/348650951.db2.gz	BJUJVEIVXHEOAJ-UHFFFAOYSA-N	-2	3	259.217	2.666	10	5		CFBEHL
CCC(CC)(c1ccc([N+](=O)[O-])cc1)P(=O)([O-])[O-]	ZINC000022129818	171354736	/nfs/dbraw/zinc/35/47/36/171354736.db2.gz	KNQFNKAUVYUOIG-UHFFFAOYSA-N	-2	3	273.225	2.788	10	5		CFBEHL
O=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)nc2c([O-])cccc12	ZINC000000020439	371509309	/nfs/dbraw/zinc/50/93/09/371509309.db2.gz	FKPMZNSEGYFIDN-UHFFFAOYSA-N	-2	3	283.243	2.616	10	5	in-vivo	CFBEHL
O=c1c2ccccc2oc2c(CP(=O)([O-])[O-])cccc12	ZINC000026732621	372328137	/nfs/dbraw/zinc/32/81/37/372328137.db2.gz	WZJDLJUDKKDPLH-UHFFFAOYSA-N	-2	3	290.211	2.624	10	5		CFBEHL
Cc1cnc([N-]c2ccc(C(=O)[O-])cc2[N+](=O)[O-])s1	ZINC000019845023	184534890	/nfs/dbraw/zinc/53/48/90/184534890.db2.gz	XTFPRCPVXDNZJP-UHFFFAOYSA-N	-2	3	279.277	2.802	10	5		CFBEHL
O=C([O-])c1cc(-c2cc(F)ccc2[O-])cc([N+](=O)[O-])c1	ZINC000095495109	184997843	/nfs/dbraw/zinc/99/78/43/184997843.db2.gz	PODDJXLGESXACF-UHFFFAOYSA-N	-2	3	277.207	2.805	10	5		CFBEHL
O=C([O-])c1ccc(-c2ccc([O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000095495099	184998122	/nfs/dbraw/zinc/99/81/22/184998122.db2.gz	QDQZBVYVPICOBU-UHFFFAOYSA-N	-2	3	277.207	2.805	10	5		CFBEHL
Cc1cc([O-])c2c(c1)oc1cccc(C(=O)[O-])c1c2=O	ZINC000014492299	372069509	/nfs/dbraw/zinc/06/95/09/372069509.db2.gz	PDFFNVIOJNUWTC-UHFFFAOYSA-N	-2	3	270.240	2.658	10	5		CFBEHL