smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2oc3cccc(=O)c-3c([O-])c2c1[O-]	ZINC000014821916	560226875	/nfs/dbraw/zinc/22/68/75/560226875.db2.gz	VBNCFORRCHBVEU-UHFFFAOYSA-N	-2	3	258.229	2.366	3	5	in-vitro	CEBFHL
COc1ccc2oc3cccc([O-])c3c([O-])c-2c1=O	ZINC000014821916	560226877	/nfs/dbraw/zinc/22/68/77/560226877.db2.gz	VBNCFORRCHBVEU-UHFFFAOYSA-N	-2	3	258.229	2.366	3	5	in-vitro	CEBFHL
COc1c([O-])cc2oc3cccc(=O)c-3c([O-])c2c1OC	ZINC000014764175	560225767	/nfs/dbraw/zinc/22/57/67/560225767.db2.gz	WGHXAVBNSLELQQ-UHFFFAOYSA-N	-2	3	288.255	2.375	1	5	biogenic,in-vitro	CEBFHL
O=c1[n-]c(=S)nc2c(-c3ccc([N+](=O)[O-])cc3)c[n-]n21	ZINC000096922744	185131666	/nfs/dbraw/zinc/13/16/66/185131666.db2.gz	CATRVMRSTZHGQT-UHFFFAOYSA-N	-2	3	289.276	2.068	1	5		CEBFHL
CC(C)c1ccc2oc3[n-]c(=O)c(C(=O)[O-])cc3c(=O)c2c1	ZINC000027645478	171526143	/nfs/dbraw/zinc/52/61/43/171526143.db2.gz	DCMFOYDHPQLFDV-UHFFFAOYSA-N	-2	3	299.282	2.456	1	5		CEBFHL
COc1cc2c(cc1[O-])oc1cc([O-])cc(OC)c1c2=O	ZINC000014764527	290843572	/nfs/dbraw/zinc/84/35/72/290843572.db2.gz	TZVWXRWZFWCCDO-UHFFFAOYSA-N	-2	3	288.255	2.375	1	5	biogenic,in-vitro	CEBFHL
COc1ccc(=O)c2c([O-])c3c([O-])cc([O-])cc3oc1-2	ZINC000014764437	560225972	/nfs/dbraw/zinc/22/59/72/560225972.db2.gz	QNJCJDZKEAVOBJ-UHFFFAOYSA-N	-3	3	274.228	2.072	1	5	biogenic,in-vitro	CEBFHL
COc1ccc(=O)c2c([O-])c3ccc([O-])cc3oc1-2	ZINC000014821982	560226865	/nfs/dbraw/zinc/22/68/65/560226865.db2.gz	ANQQUCRTGKYCDZ-UHFFFAOYSA-N	-2	3	258.229	2.366	1	5	in-vitro	CEBFHL
COc1c([O-])c2c(O)c3c([O-])cccc3oc-2cc1=O	ZINC000014764172	560225774	/nfs/dbraw/zinc/22/57/74/560225774.db2.gz	SLPZRZRPLQECGV-UHFFFAOYSA-N	-2	3	274.228	2.072	1	5	biogenic,in-vitro	CEBFHL
COc1c(=O)cc2oc3cccc([O-])c3c([O-])c-2c1O	ZINC000014764172	560225775	/nfs/dbraw/zinc/22/57/75/560225775.db2.gz	SLPZRZRPLQECGV-UHFFFAOYSA-N	-2	3	274.228	2.072	1	5	biogenic,in-vitro	CEBFHL
COc1c([O-])cc2oc3cccc(=O)c-3c([O-])c2c1[O-]	ZINC000014764172	560225777	/nfs/dbraw/zinc/22/57/77/560225777.db2.gz	SLPZRZRPLQECGV-UHFFFAOYSA-N	-3	3	274.228	2.072	1	5	biogenic,in-vitro	CEBFHL
COc1cc(=O)c2c([O-])c3cc(OC)c([O-])cc3oc-2c1	ZINC000014764530	560225936	/nfs/dbraw/zinc/22/59/36/560225936.db2.gz	FLTBKCJDQMNPTA-UHFFFAOYSA-N	-2	3	288.255	2.375	1	5	biogenic,in-vitro	CEBFHL
COc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC000014822024	560226826	/nfs/dbraw/zinc/22/68/26/560226826.db2.gz	ZPHCTBYBIZXYGV-UHFFFAOYSA-N	-2	3	258.229	2.366	1	5	biogenic,in-vitro	CEBFHL
COc1c(=O)cc([O-])c2c([O-])c3cccc(O)c3oc1-2	ZINC000014764309	560225839	/nfs/dbraw/zinc/22/58/39/560225839.db2.gz	WAIHENVJPZAPFP-UHFFFAOYSA-N	-2	3	274.228	2.072	1	5	biogenic,in-vitro	CEBFHL
Cc1cc([O-])c2c([O-])c3c(=O)ccc(O)c-3oc2c1	ZINC000014815341	560226490	/nfs/dbraw/zinc/22/64/90/560226490.db2.gz	QUYAEOSQFKMXDN-UHFFFAOYSA-N	-2	3	258.229	2.371	1	5	biogenic,in-vitro	CEBFHL
Cc1cc(=O)c2c([O-])c3c([O-])ccc(O)c3oc-2c1	ZINC000014815341	560226492	/nfs/dbraw/zinc/22/64/92/560226492.db2.gz	QUYAEOSQFKMXDN-UHFFFAOYSA-N	-2	3	258.229	2.371	1	5	biogenic,in-vitro	CEBFHL
O=C([O-])c1cccc2oc3cccc([O-])c3c(=O)c21	ZINC000014513446	560222227	/nfs/dbraw/zinc/22/22/27/560222227.db2.gz	QRODRMXJCCGNJF-UHFFFAOYSA-N	-2	3	256.213	2.350	1	5	in-vitro	CEBFHL
COc1c([O-])c2c([O-])c3cccc(O)c3oc-2cc1=O	ZINC000014764100	560225807	/nfs/dbraw/zinc/22/58/07/560225807.db2.gz	JAOZFCHZESUBKS-UHFFFAOYSA-N	-2	3	274.228	2.072	1	5	biogenic,in-vitro	CEBFHL