smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(O)c(-c2ccc([O-])c(Cc3ccccc3)c2)oc2cc([O-])cc(OCCO)c12	ZINC000085569463	291260071	/nfs/dbraw/zinc/26/00/71/291260071.db2.gz	NTOXBHZWUGROKX-UHFFFAOYSA-N	-2	3	420.417	3.539	1	0	biogenic,in-vitro	HHAFHL
CC(C)Cc1cc(-c2oc3cc([O-])cc(OCCCO)c3c(=O)c2O)ccc1[O-]	ZINC000085569478	291248419	/nfs/dbraw/zinc/24/84/19/291248419.db2.gz	SDLOLAHFJLSUKU-UHFFFAOYSA-N	-2	3	400.427	3.537	1	0	biogenic,in-vitro	HHAFHL
COc1c([O-])c(C(C)C)c2oc(-c3ccc([O-])cc3)cc(=O)c2c1OCCCO	ZINC000085633018	291252002	/nfs/dbraw/zinc/25/20/02/291252002.db2.gz	NSNCXPDXKYMOEH-UHFFFAOYSA-N	-2	3	400.427	3.764	1	0	biogenic,in-vitro	HHAFHL
COc1c([O-])cc2oc(-c3ccc([O-])cc3)cc(=O)c2c1OCCC1(O)CCCC1	ZINC000085633005	291251992	/nfs/dbraw/zinc/25/19/92/291251992.db2.gz	LRRHVQVFDSFSRL-UHFFFAOYSA-N	-2	3	412.438	3.954	1	0	biogenic,in-vitro	HHAFHL
COc1ccc(-c2c(-c3cc(Cl)c([O-])cc3[O-])n[nH]c2C(=O)NC(C)C)cc1	ZINC000004617894	581097452	/nfs/dbraw/zinc/09/74/52/581097452.db2.gz	RBHQGEWNBVFZRU-UHFFFAOYSA-N	-2	3	401.850	3.955	1	0		HHAFHL