smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1ccc2c(cc([O-])c(O)c2-c2c([O-])c(O)cc3ccc(=O)oc32)o1	ZINC000014559664	291054932	/nfs/dbraw/zinc/05/49/32/291054932.db2.gz	MCLQXBHUUFURBK-UHFFFAOYSA-N	-2	3	354.270	2.389	1	10	biogenic,in-vitro	FECFHL
CC(=O)N1N=C(c2ccc(O)cc2[O-])C[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000095592466	209083168	/nfs/dbraw/zinc/08/31/68/209083168.db2.gz	NCANOSPPXLDNGB-AWEZNQCLSA-N	-2	3	357.322	2.409	1	10		FECFHL
O=c1ccc2c(cc([O-])c(O)c2-c2c(O)c([O-])cc3oc(=O)ccc32)o1	ZINC000015210676	291054928	/nfs/dbraw/zinc/05/49/28/291054928.db2.gz	MFAPGDLENWJYSK-UHFFFAOYSA-N	-2	3	354.270	2.389	1	10	biogenic,in-vitro	FECFHL
O=c1oc2cc([O-])c(O)cc2c2c1[n-]c1c2c2cc(O)c([O-])cc2oc1=O	ZINC000014613984	210181225	/nfs/dbraw/zinc/18/12/25/210181225.db2.gz	TZFRSABFINCNDG-UHFFFAOYSA-N	-3	3	367.269	2.356	1	10		FECFHL
COc1cc2c(c([O-])c1Cl)C(=O)c1c([O-])cc(C[C@H](C)O)cc1C2=O	ZINC000014819816	210182132	/nfs/dbraw/zinc/18/21/32/210182132.db2.gz	FKVUTJLGAVQJOM-ZETCQYMHSA-N	-2	3	362.765	2.459	1	10		FECFHL
O=C([O-])c1cc2cc(O)c([O-])cc2c(C(=O)c2ccc3c(c2)OCO3)n1	ZINC000013470144	220068008	/nfs/dbraw/zinc/06/80/08/220068008.db2.gz	BDRHEHSJXWNJDT-UHFFFAOYSA-N	-2	3	353.286	2.304	1	10		FECFHL
O=C([O-])c1cc2cc([O-])c(O)cc2c(C(=O)c2ccc3c(c2)OCO3)n1	ZINC000013470144	220068010	/nfs/dbraw/zinc/06/80/10/220068010.db2.gz	BDRHEHSJXWNJDT-UHFFFAOYSA-N	-2	3	353.286	2.304	1	10		FECFHL
O=C([O-])c1cc2cc(O)c([O-])cc2c(C(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000013490151	220069365	/nfs/dbraw/zinc/06/93/65/220069365.db2.gz	HXTDUDJJZNBWCV-UHFFFAOYSA-N	-2	3	354.274	2.483	1	10		FECFHL
O=C([O-])c1cc2cc([O-])c(O)cc2c(C(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000013490151	220069367	/nfs/dbraw/zinc/06/93/67/220069367.db2.gz	HXTDUDJJZNBWCV-UHFFFAOYSA-N	-2	3	354.274	2.483	1	10		FECFHL