smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2oc3c(OC)c(OC)c(O)c(=O)c-3c([O-])c2[O-])ccc1O	ZINC000040424377	205065887	/nfs/dbraw/zinc/06/58/87/205065887.db2.gz	CTKFEOUGUQQUND-UHFFFAOYSA-N	-2	3	376.317	2.308	1	10		GECFHL
C/C=C/c1cc2c(c(=O)o1)-c1c([O-])c(O)c(OC)c(C(=O)[O-])c1[C@H](OC)O2	ZINC000040935249	205075237	/nfs/dbraw/zinc/07/52/37/205075237.db2.gz	ZORZPKUBRKXKSU-SHCNBLLESA-N	-2	3	376.317	2.495	1	10		GECFHL
COc1ccc(-c2oc3cc(OC)c(O)c([O-])c3c(=O)c2OC)c([O-])c1O	ZINC000015271428	560230067	/nfs/dbraw/zinc/23/00/67/560230067.db2.gz	GNHURUAFLJVHLD-UHFFFAOYSA-N	-2	3	376.317	2.308	1	10	biogenic,in-vitro	GECFHL
COc1ccc(-c2oc3cc(OC)c(O)c(=O)c-3c([O-])c2OC)c([O-])c1O	ZINC000015271428	560230068	/nfs/dbraw/zinc/23/00/68/560230068.db2.gz	GNHURUAFLJVHLD-UHFFFAOYSA-N	-2	3	376.317	2.308	1	10	biogenic,in-vitro	GECFHL
CN1CCN(Cc2c([O-])cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)CC1	ZINC000072124700	222209712	/nfs/dbraw/zinc/20/97/12/222209712.db2.gz	NUUFSPDMNRIGGO-UHFFFAOYSA-N	-2	3	398.415	2.030	1	10		GECFHL
O=c1cc(-c2ccc(O)c(O)c2)oc2c(CN3CCOCC3)c([O-])cc([O-])c12	ZINC000072124699	222209233	/nfs/dbraw/zinc/20/92/33/222209233.db2.gz	MLZQXXWVMYPHDQ-UHFFFAOYSA-N	-2	3	385.372	2.115	1	10		GECFHL