smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2oc3cc([O-])c(O)c([O-])c3c(=O)c2OC)cc1O	ZINC000014436868	560221364	/nfs/dbraw/zinc/22/13/64/560221364.db2.gz	LIIZTGPIKLYGNT-UHFFFAOYSA-N	-2	3	346.291	2.300	1	10	biogenic,in-vitro	EECFHL
C/C=C/C(=O)OCc1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O	ZINC000103235121	219273496	/nfs/dbraw/zinc/27/34/96/219273496.db2.gz	DBAJNFVKBYXSGU-DUXPYHPUSA-N	-2	3	338.315	2.493	1	10		EECFHL
O=c1cc(/C=C/c2cc(O)c([O-])c(O)c2)oc2c(O)c([O-])ccc12	ZINC000103175720	219265782	/nfs/dbraw/zinc/26/57/82/219265782.db2.gz	YYGFDZJAFOUNQR-OWOJBTEDSA-N	-2	3	328.276	2.491	1	10		EECFHL
O=c1cc(C=Cc2cc(O)c(O)c(O)c2)oc2cc([O-])cc([O-])c12	ZINC000103175719	204065200	/nfs/dbraw/zinc/06/52/00/204065200.db2.gz	VWZZNVCSKHLBPY-OWOJBTEDSA-N	-2	3	328.276	2.491	1	10		EECFHL
COc1cc([O-])c(O)c2oc(-c3ccc([O-])c(O)c3)c(OC)c(=O)c12	ZINC000014437008	560221409	/nfs/dbraw/zinc/22/14/09/560221409.db2.gz	KNEPLXVAXBQPGZ-UHFFFAOYSA-N	-2	3	346.291	2.300	1	10	biogenic,in-vitro	EECFHL
COc1ccc(-c2oc3c(O)c([O-])cc([O-])c3c(=O)c2OC)cc1O	ZINC000014437006	560221419	/nfs/dbraw/zinc/22/14/19/560221419.db2.gz	PBBXHFKIHMKJCA-UHFFFAOYSA-N	-2	3	346.291	2.300	1	10	biogenic,in-vitro	EECFHL
COc1cc2c(c(OC)c1[O-])C(=O)c1c(cc(C)c([O-])c1OC)C2=O	ZINC000059587344	560082771	/nfs/dbraw/zinc/08/27/71/560082771.db2.gz	LJPSBLQSBSZEGV-UHFFFAOYSA-N	-2	3	344.319	2.207	1	10	biogenic,in-vitro	EECFHL
O=c1cc(CCc2ccccc2O)oc2c(O)c([O-])c(O)c([O-])c12	ZINC000095918985	290973583	/nfs/dbraw/zinc/97/35/83/290973583.db2.gz	NJTJTTYZOGWTFG-UHFFFAOYSA-N	-2	3	330.292	2.106	1	10	biogenic,in-vitro	EECFHL