smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccc([O-])cc2oc1=O	ZINC000022060268	211337699	/nfs/dbraw/zinc/33/76/99/211337699.db2.gz	JTCREUDLEYTCAB-OAHLLOKOSA-N	-2	3	369.329	3.223	10	5	in-vitro	FGBEHL
Cc1nc(C=Cc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1CCC(=O)[O-]	ZINC000443455247	500727084	/nfs/dbraw/zinc/72/70/84/500727084.db2.gz	QUMMVRFIGFUVIX-UTCJRWHESA-N	-2	3	363.757	3.240	10	5		FGBEHL
COc1ccc2c(cc([N+](=O)[O-])c3c(C(=O)[O-])cc4c(c23)OCO4)c1[O-]	ZINC000006018930	493948925	/nfs/dbraw/zinc/94/89/25/493948925.db2.gz	ZRCMNWRTDNPVFL-UHFFFAOYSA-N	-2	3	357.274	3.042	10	5	biogenic,in-vitro	FGBEHL
COC(=O)c1ccccc1[N-]c1ncnc([N-]c2ccccn2)c1[N+](=O)[O-]	ZINC000040645589	205074839	/nfs/dbraw/zinc/07/48/39/205074839.db2.gz	ISBXUEGUNNICAK-UHFFFAOYSA-N	-2	3	366.337	3.054	10	5		FGBEHL
O=C([O-])c1cc(OCc2ccc(Br)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000226346443	206121721	/nfs/dbraw/zinc/12/17/21/206121721.db2.gz	KGWKUMSNRUFFGU-UHFFFAOYSA-N	-2	3	368.139	3.340	10	5		FGBEHL
COC(=O)c1ccccc1[N-]c1ncnc([N-]c2nccs2)c1[N+](=O)[O-]	ZINC000040645594	208261629	/nfs/dbraw/zinc/26/16/29/208261629.db2.gz	VJIOZCHNPISRRH-UHFFFAOYSA-N	-2	3	372.366	3.115	10	5		FGBEHL
O=C([O-])c1ccc(Nc2[n-]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624771	208258544	/nfs/dbraw/zinc/25/85/44/208258544.db2.gz	PNCGADIGCYVUMW-UHFFFAOYSA-N	-2	3	366.337	3.266	10	5		FGBEHL
O=[N+]([O-])c1ccc([O-])c(-c2n[n-]c(-c3ccc(Br)o3)n2)c1	ZINC000072237769	494145479	/nfs/dbraw/zinc/14/54/79/494145479.db2.gz	GADIKEGENCBECM-UHFFFAOYSA-N	-2	3	351.116	3.108	10	5		FGBEHL
CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccc([O-])cc2oc1=O	ZINC000022060265	211336912	/nfs/dbraw/zinc/33/69/12/211336912.db2.gz	JTCREUDLEYTCAB-HNNXBMFYSA-N	-2	3	369.329	3.223	10	5	world	FGBEHL
Cc1nc(C=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000195503614	496943702	/nfs/dbraw/zinc/94/37/02/496943702.db2.gz	KGQKCPVZLFXNTP-VMPITWQZSA-N	-2	3	371.393	3.298	10	5		FGBEHL