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-])c1cc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])cs1	ZINC000095495226	304218847	/nfs/dbraw/zinc/21/88/47/304218847.db2.gz	MFGHWDSAHKGOGX-UHFFFAOYSA-N	-2	0	293.256	2.720	10	5		CFBERL
O=C([O-])c1cccc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000095495161	304254989	/nfs/dbraw/zinc/25/49/89/304254989.db2.gz	IVAATOZUNXZDCJ-UHFFFAOYSA-N	-2	0	287.227	2.658	10	5		CFBERL
O=C([O-])c1cc(F)cc(-c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000095494952	304224862	/nfs/dbraw/zinc/22/48/62/304224862.db2.gz	LUKFVBXEVVWYIG-UHFFFAOYSA-N	-2	0	277.207	2.805	10	5		CFBERL
O=C([O-])c1cccc(-c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000095494910	304255182	/nfs/dbraw/zinc/25/51/82/304255182.db2.gz	HUXDQTGERXRBIH-UHFFFAOYSA-N	-2	0	259.217	2.666	10	5		CFBERL
O=C([O-])c1cc(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cs1	ZINC000095495224	304219160	/nfs/dbraw/zinc/21/91/60/304219160.db2.gz	OLBZWYXSCYMYLK-UHFFFAOYSA-N	-2	0	293.256	2.720	10	5		CFBERL
O=C([O-])c1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC000095494953	304230364	/nfs/dbraw/zinc/23/03/64/304230364.db2.gz	QJYOGMQXIWEKSH-UHFFFAOYSA-N	-2	0	277.207	2.805	10	5		CFBERL
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1	ZINC000095495162	304230378	/nfs/dbraw/zinc/23/03/78/304230378.db2.gz	BEGHIOQRJAQQCF-UHFFFAOYSA-N	-2	0	287.227	2.658	10	5		CFBERL
O=c1cc(-c2ccccc2)oc2c1c([O-])cc([O-])c2[N+](=O)[O-]	ZINC000006582553	170215867	/nfs/dbraw/zinc/21/58/67/170215867.db2.gz	OKXTXFWJUDLXKG-UHFFFAOYSA-N	-2	0	299.238	2.779	10	5		CFBERL
O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])cc3c(=O)c2c1	ZINC000169347794	379107557	/nfs/dbraw/zinc/10/75/57/379107557.db2.gz	UUMFOXBZHHEMHR-UHFFFAOYSA-N	-2	0	294.262	2.750	10	5		CFBERL
O=C([O-])c1cc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1	ZINC000095495225	304218870	/nfs/dbraw/zinc/21/88/70/304218870.db2.gz	FJJXNXXXSWHCFK-UHFFFAOYSA-N	-2	0	293.256	2.720	10	5		CFBERL
O=C([O-])c1ccc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000095495163	304230068	/nfs/dbraw/zinc/23/00/68/304230068.db2.gz	XGNCWPPNCNFYTH-UHFFFAOYSA-N	-2	0	287.227	2.658	10	5		CFBERL
O=C([O-])c1cc(-c2ccc([O-])c([N+](=O)[O-])c2)cs1	ZINC000095494934	304219380	/nfs/dbraw/zinc/21/93/80/304219380.db2.gz	IZWJYQMQYCVOHM-UHFFFAOYSA-N	-2	0	265.246	2.727	10	5		CFBERL
CC(C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1)=Cc1ccccc1	ZINC000020157341	372234709	/nfs/dbraw/zinc/23/47/09/372234709.db2.gz	NQLCPPMQXFYLQK-XBLVEGMJSA-N	-2	0	299.286	2.500	10	5		CFBERL
O=[N+]([O-])c1cc(Oc2ccc([O-])c([N+](=O)[O-])c2)ccc1[O-]	ZINC000039244089	346342586	/nfs/dbraw/zinc/34/25/86/346342586.db2.gz	HDGNWRGKJBDMRZ-UHFFFAOYSA-N	-2	0	292.203	2.707	10	5		CFBERL
O=C([O-])c1ccc2nc3c(cccc3C(=O)[O-])cc2c1	ZINC000584623596	348693602	/nfs/dbraw/zinc/69/36/02/348693602.db2.gz	OTALHAIJMJUFFX-UHFFFAOYSA-N	-2	0	267.240	2.784	10	5		CFBERL