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-])c1c(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)cc2ccccc2c1-c1ccccc1	ZINC000003953842	194367257	/nfs/dbraw/zinc/36/72/57/194367257.db2.gz	BCEZAFKVPCTVIX-UHFFFAOYSA-N	-2	0	458.469	6.789	40	5	in-vitro	JKBBRL
O=C([O-])c1ccccc1-c1c2ccc([O-])c(Br)c2oc2c(Br)c(=O)ccc1-2	ZINC000004352921	526395165	/nfs/dbraw/zinc/39/51/65/526395165.db2.gz	YVPBVWICNJPHCW-UHFFFAOYSA-N	-2	0	490.103	5.494	40	5	biogenic,in-vitro	JKBBRL
O=[N+]([O-])c1cc(Cl)cc(C(c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(Cl)(Cl)Cl)c1[O-]	ZINC000001599562	553980163	/nfs/dbraw/zinc/98/01/63/553980163.db2.gz	FFTXURLSKUFFGG-UHFFFAOYSA-N	-2	0	476.483	5.723	40	5		JKBBRL
O=[N+]([O-])c1cccc([O-])c1/C=C\c1cc(/C=C\c2c([O-])cccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104108620	569841062	/nfs/dbraw/zinc/84/10/62/569841062.db2.gz	DOJDRQJGHAJDSO-XOHWUJONSA-N	-2	0	494.372	5.071	40	5		JKBBRL
O=[N+]([O-])c1cccc([O-])c1/C=C/c1cc(/C=C\c2c([O-])cccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104108623	569841010	/nfs/dbraw/zinc/84/10/10/569841010.db2.gz	DOJDRQJGHAJDSO-FKJILZIQSA-N	-2	0	494.372	5.071	40	5		JKBBRL
O=C([O-])c1ccc(-c2c3ccc4cc(=O)ccc4c3oc3c4ccc(O)cc4ccc32)c(C(=O)[O-])c1	ZINC000035224090	569678477	/nfs/dbraw/zinc/67/84/77/569678477.db2.gz	JQVIDJJOHLALHF-UHFFFAOYSA-N	-2	0	476.440	6.022	40	5	in-vitro	JKBBRL
O=[N+]([O-])c1cccc([O-])c1/C=C/c1cc(/C=C/c2c([O-])cccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104108626	569841056	/nfs/dbraw/zinc/84/10/56/569841056.db2.gz	DOJDRQJGHAJDSO-FIFLTTCUSA-N	-2	0	494.372	5.071	40	5		JKBBRL
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2ccc([O-])cc2oc2cc(=O)ccc1-2	ZINC000005048641	554485979	/nfs/dbraw/zinc/48/59/79/554485979.db2.gz	YKZRCHFYEHSOOM-UHFFFAOYSA-N	-2	0	470.091	6.582	40	5		JKBBRL