smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2cc3cc(O)c([O-])cc3oc2=O)ccc1[O-]	ZINC000073167063	191288087	/nfs/dbraw/zinc/28/80/87/191288087.db2.gz	CLLMMMRKXJTLFW-UHFFFAOYSA-N	-2	3	300.266	2.585	1	10		DFCFHL
COc1cc2c3oc4cc([O-])c(O)cc4c3c(=O)oc2cc1[O-]	ZINC000003819481	181047403	/nfs/dbraw/zinc/04/74/03/181047403.db2.gz	BPUFWAUISSHYSD-UHFFFAOYSA-N	-2	3	314.249	2.818	1	10		DFCFHL
COc1cc2oc3cc(O)c([O-])c(=O)c-3c([O-])c2cc1Cl	ZINC000013386582	290910402	/nfs/dbraw/zinc/91/04/02/290910402.db2.gz	PXAQWBQHHVXCLO-UHFFFAOYSA-N	-2	3	308.673	2.725	1	10	biogenic,in-vitro	DFCFHL
COc1cc2c(=O)cc(-c3ccc([O-])c(O)c3)oc2cc1[O-]	ZINC000040409869	183062732	/nfs/dbraw/zinc/06/27/32/183062732.db2.gz	STCLYCCAPYNAAW-UHFFFAOYSA-N	-2	3	300.266	2.585	1	10		DFCFHL
Cc1cc(-c2coc3c(O)c([O-])cc([O-])c3c2=O)ccc1O	ZINC000095099479	560062331	/nfs/dbraw/zinc/06/23/31/560062331.db2.gz	YAKJQHWLQVKMSB-UHFFFAOYSA-N	-2	3	300.266	2.591	1	10	biogenic,in-vitro	DFCFHL
O=c1cc(C=Cc2ccc(O)c(O)c2)oc2cc([O-])cc([O-])c12	ZINC000003596200	181037880	/nfs/dbraw/zinc/03/78/80/181037880.db2.gz	ITPNLPJRQLRVSC-HNQUOIGGSA-N	-2	3	312.277	2.786	1	10		DFCFHL
CCOc1cc([O-])cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c12	ZINC000064448701	184297434	/nfs/dbraw/zinc/29/74/34/184297434.db2.gz	AMNGHMSGIHDILP-UHFFFAOYSA-N	-2	3	314.293	2.976	1	10		DFCFHL
Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])c(Cl)c([O-])c1C2=O	ZINC000004098655	560196044	/nfs/dbraw/zinc/19/60/44/560196044.db2.gz	AVSZOSVPTLSHOV-UHFFFAOYSA-N	-3	3	304.685	2.541	1	10	in-vitro	DFCFHL
O=C1c2ccc3cc(CO)cc([O-])c3c2C(=O)c2cccc([O-])c21	ZINC000004654728	560199073	/nfs/dbraw/zinc/19/90/73/560199073.db2.gz	QPPVCGOBYRQSAG-UHFFFAOYSA-N	-2	3	320.300	2.519	1	10	in-vitro	DFCFHL