smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2cccc([O-])c2oc2cccc([O-])c21	ZINC000015118974	343262976	/nfs/dbraw/zinc/26/29/76/343262976.db2.gz	APIPFXZYOMIJQG-UHFFFAOYSA-N	-2	3	228.203	2.357	10	5	endogenous,in-man	BEBEHL
O=c1c2cccc([O-])c2oc2c([O-])ccc(O)c12	ZINC000014821978	344419607	/nfs/dbraw/zinc/41/96/07/344419607.db2.gz	HFSVZCUBASBXKP-UHFFFAOYSA-N	-2	3	244.202	2.063	10	5	biogenic	BEBEHL
O=c1cccc2oc3cccc([O-])c3c([O-])c1-2	ZINC000005085578	342758077	/nfs/dbraw/zinc/75/80/77/342758077.db2.gz	XWPUJQLPABYIPZ-UHFFFAOYSA-N	-2	3	228.203	2.357	10	5		BEBEHL
O=c1c2cccc([O-])c2oc2cc([O-])cc(O)c12	ZINC000006567315	368863310	/nfs/dbraw/zinc/86/33/10/368863310.db2.gz	XESIWQIMUSNPRO-UHFFFAOYSA-N	-2	3	244.202	2.063	10	5	biogenic,in-vitro	BEBEHL
O=c1cccc2oc3cc([O-])cc([O-])c3c([O-])c1-2	ZINC000014821968	343131618	/nfs/dbraw/zinc/13/16/18/343131618.db2.gz	USKKTSTUBVKGIU-UHFFFAOYSA-N	-3	3	244.202	2.063	10	5		BEBEHL
O=C([O-])c1cc([N+](=O)[O-])c2ccccc2c1[O-]	ZINC000022520873	344084344	/nfs/dbraw/zinc/08/43/44/344084344.db2.gz	VXGFCNFXGCAXIB-UHFFFAOYSA-N	-2	3	233.179	2.152	10	5		BEBEHL
O=c1oc2cc([O-])ccc2c2c([O-])cc([O-])cc12	ZINC000014779365	560226274	/nfs/dbraw/zinc/22/62/74/560226274.db2.gz	AKJHSPSPAOUDFT-UHFFFAOYSA-N	-3	3	244.202	2.063	10	5	biogenic,in-vitro	BEBEHL