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(-c2c(Cl)cccc2Cl)nc2cc3ccccc3cc21	ZINC000001766677	210370217	/nfs/dbraw/zinc/37/02/17/210370217.db2.gz	LQILJWMXSCINKZ-UHFFFAOYSA-N	-1	0	368.219	6.060	40	5		FKBBRM
O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc3ccccc3cc21	ZINC000001766679	204018501	/nfs/dbraw/zinc/01/85/01/204018501.db2.gz	AIWCBAUJTADPFR-UHFFFAOYSA-N	-1	0	368.219	6.060	40	5		FKBBRM
O=[N+]([O-])c1ccc([O-])c(-c2nc3c([nH]2)c2ccccc2c2ccccc32)c1	ZINC000004854743	206181829	/nfs/dbraw/zinc/18/18/29/206181829.db2.gz	YKGJROCVAKPIDB-UHFFFAOYSA-N	-1	0	355.353	5.150	40	5		FKBBRM
O=C([O-])c1cc(-c2c(F)cccc2Cl)nc2ccc3ccccc3c21	ZINC000005904591	570638439	/nfs/dbraw/zinc/63/84/39/570638439.db2.gz	XCHKSJBGIADSIQ-UHFFFAOYSA-N	-1	0	351.764	5.546	40	5		FKBBRM
Cc1cc([N-]C(=S)SCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1C	ZINC000006484360	207142832	/nfs/dbraw/zinc/14/28/32/207142832.db2.gz	UHTKQYQRDZRGMD-UHFFFAOYSA-N	-1	0	366.895	5.495	40	5		FKBBRM
O=[N+]([O-])c1c(-c2ccccc2)c2cc(Br)ccc2[n-]c1=S	ZINC000008436345	207233139	/nfs/dbraw/zinc/23/31/39/207233139.db2.gz	LMKLEIFRRXCIQL-UHFFFAOYSA-N	-1	0	361.220	5.235	40	5		FKBBRM
O=[N+]([O-])c1ccc([O-])c(/C=C/c2ccc3oc(-c4ccccc4)nc3c2)c1	ZINC000034903288	208113176	/nfs/dbraw/zinc/11/31/76/208113176.db2.gz	XPXXEWJNTJGXHS-SOFGYWHQSA-N	-1	0	358.353	5.279	40	5		FKBBRM
Cc1cc2sc([N-]c3nc4cc(Cl)ccc4o3)nc2c([N+](=O)[O-])c1	ZINC000057352611	571342611	/nfs/dbraw/zinc/34/26/11/571342611.db2.gz	IOWJQCMTXJSXGY-UHFFFAOYSA-N	-1	0	360.782	5.051	40	5		FKBBRM
Cc1cc2sc([N-]c3nc4cc(C(C)C)ccc4o3)nc2c([N+](=O)[O-])c1	ZINC000057352619	210208429	/nfs/dbraw/zinc/20/84/29/210208429.db2.gz	DSVMXRJVVFQQJO-UHFFFAOYSA-N	-1	0	368.418	5.521	40	5		FKBBRM
Cc1cc2sc([N-]c3nc4cc(C)c(C)cc4o3)nc2c([N+](=O)[O-])c1	ZINC000057352624	571342663	/nfs/dbraw/zinc/34/26/63/571342663.db2.gz	ZAXXJVKFPHVHGK-UHFFFAOYSA-N	-1	0	354.391	5.015	40	5		FKBBRM
Cc1cc2sc([N-]c3nc4ccc(C)c(C)c4o3)nc2c([N+](=O)[O-])c1	ZINC000057352626	203903990	/nfs/dbraw/zinc/90/39/90/203903990.db2.gz	SORWPUYBCWIPRB-UHFFFAOYSA-N	-1	0	354.391	5.015	40	5		FKBBRM
Cc1cc2nc([N-]c3nc4c(cc(C)cc4[N+](=O)[O-])s3)oc2c(C)c1	ZINC000057352627	571342638	/nfs/dbraw/zinc/34/26/38/571342638.db2.gz	OYWAIAWUEXYEGT-UHFFFAOYSA-N	-1	0	354.391	5.015	40	5		FKBBRM
CC(C)c1ccc2oc([N-]c3nc4ccc([N+](=O)[O-])cc4s3)nc2c1	ZINC000057352638	571342601	/nfs/dbraw/zinc/34/26/01/571342601.db2.gz	JODPVIZFFARLEL-UHFFFAOYSA-N	-1	0	354.391	5.213	40	5		FKBBRM
CC(C)(C)c1ccc2oc([N-]c3nc4ccc([N+](=O)[O-])cc4s3)nc2c1	ZINC000057352639	210209292	/nfs/dbraw/zinc/20/92/92/210209292.db2.gz	HWFFZVWBDXCZBJ-UHFFFAOYSA-N	-1	0	368.418	5.387	40	5		FKBBRM
Cc1cc2nc([N-]c3nc4c(cc([N+](=O)[O-])cc4C)s3)oc2c(C)c1	ZINC000057352709	571342654	/nfs/dbraw/zinc/34/26/54/571342654.db2.gz	CMSUXCSIAWANNM-UHFFFAOYSA-N	-1	0	354.391	5.015	40	5		FKBBRM
Cc1cc([N+](=O)[O-])cc2sc([N-]c3nc4ccc(C)c(C)c4o3)nc21	ZINC000057352710	210209817	/nfs/dbraw/zinc/20/98/17/210209817.db2.gz	ZXYVJRXMAURIBT-UHFFFAOYSA-N	-1	0	354.391	5.015	40	5		FKBBRM
Cc1cc([N+](=O)[O-])cc2sc([N-]c3nc4cc(C)c(C)cc4o3)nc21	ZINC000057352711	571342655	/nfs/dbraw/zinc/34/26/55/571342655.db2.gz	ZVQDXCMYJHHBKO-UHFFFAOYSA-N	-1	0	354.391	5.015	40	5		FKBBRM
Cc1cc([N+](=O)[O-])cc2sc([N-]c3nc4cc(C(C)C)ccc4o3)nc21	ZINC000057352713	206784146	/nfs/dbraw/zinc/78/41/46/206784146.db2.gz	GMJGUQFRQXGNFL-UHFFFAOYSA-N	-1	0	368.418	5.521	40	5		FKBBRM
Cc1cc([N+](=O)[O-])cc2sc([N-]c3nc4cc(Cl)ccc4o3)nc21	ZINC000057352716	571342603	/nfs/dbraw/zinc/34/26/03/571342603.db2.gz	FHISIJLMSJGXGC-UHFFFAOYSA-N	-1	0	360.782	5.051	40	5		FKBBRM