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)cc-3oc3cc(O)ccc32)cc2ccccc2c1-c1ccccc1	ZINC000003953842	194367260	/nfs/dbraw/zinc/36/72/60/194367260.db2.gz	BCEZAFKVPCTVIX-UHFFFAOYSA-N	-1	2	458.469	6.789	40	5	in-vitro	JKBBLM
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2c(O)cccc2[N+](=O)[O-])cc1/C=C\c1c([O-])cccc1[N+](=O)[O-]	ZINC000104108620	569841065	/nfs/dbraw/zinc/84/10/65/569841065.db2.gz	DOJDRQJGHAJDSO-XOHWUJONSA-N	-1	2	494.372	5.071	40	5		JKBBLM
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	569841013	/nfs/dbraw/zinc/84/10/13/569841013.db2.gz	DOJDRQJGHAJDSO-FKJILZIQSA-N	-1	2	494.372	5.071	40	5		JKBBLM
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	569841014	/nfs/dbraw/zinc/84/10/14/569841014.db2.gz	DOJDRQJGHAJDSO-FKJILZIQSA-N	-1	2	494.372	5.071	40	5		JKBBLM
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2c(O)cccc2[N+](=O)[O-])cc1/C=C/c1c([O-])cccc1[N+](=O)[O-]	ZINC000104108626	569841059	/nfs/dbraw/zinc/84/10/59/569841059.db2.gz	DOJDRQJGHAJDSO-FIFLTTCUSA-N	-1	2	494.372	5.071	40	5		JKBBLM
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000005048641	554485982	/nfs/dbraw/zinc/48/59/82/554485982.db2.gz	YKZRCHFYEHSOOM-UHFFFAOYSA-N	-1	2	470.091	6.582	40	5		JKBBLM