smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)C=Cc2cc(=O)c3c([O-])c4ccccc4oc-3c2O1	ZINC000096932851	185132331	/nfs/dbraw/zinc/13/23/31/185132331.db2.gz	WWEMWFCLNGFTGG-UHFFFAOYSA-N	-1	3	294.306	3.836	1	5		CHBFHM
CC1(C)C=Cc2cc([O-])c3c(=O)c4ccccc4oc3c2O1	ZINC000096932851	185132332	/nfs/dbraw/zinc/13/23/32/185132332.db2.gz	WWEMWFCLNGFTGG-UHFFFAOYSA-N	-1	3	294.306	3.836	1	5		CHBFHM
CC1(C)CCc2cc3oc4ccccc4c(=O)c3c([O-])c2O1	ZINC000096932843	185132384	/nfs/dbraw/zinc/13/23/84/185132384.db2.gz	GIFMZEFTVVYDLL-UHFFFAOYSA-N	-1	3	296.322	3.755	1	5		CHBFHM
CC1(C)C=Cc2cc3oc4ccccc4c([O-])c-3c(=O)c2O1	ZINC000096932842	185131833	/nfs/dbraw/zinc/13/18/33/185131833.db2.gz	GQQNCIBKGHDXHZ-UHFFFAOYSA-N	-1	3	294.306	3.836	1	5		CHBFHM
CC1(C)C=Cc2cc3oc4ccccc4c(=O)c3c([O-])c2O1	ZINC000096932842	185131834	/nfs/dbraw/zinc/13/18/34/185131834.db2.gz	GQQNCIBKGHDXHZ-UHFFFAOYSA-N	-1	3	294.306	3.836	1	5		CHBFHM
CC1(C)CCc2cc([O-])c3c(=O)c4ccccc4oc3c2O1	ZINC000096932852	185132263	/nfs/dbraw/zinc/13/22/63/185132263.db2.gz	ITRAHUAVOADDFX-UHFFFAOYSA-N	-1	3	296.322	3.755	1	5		CHBFHM
Cc1cc(C)c2c3ccc([O-])c(C)c3oc(=O)c2c1	ZINC000028571646	171564550	/nfs/dbraw/zinc/56/45/50/171564550.db2.gz	FMEFVOSLOWRVPQ-UHFFFAOYSA-N	-1	3	254.285	3.577	1	5		CHBFHM
C=Cc1ccc2c3ccc([O-])c(C)c3oc(=O)c2c1	ZINC000028571164	171564798	/nfs/dbraw/zinc/56/47/98/171564798.db2.gz	ARPCLDLOZVEXFP-UHFFFAOYSA-N	-1	3	252.269	3.603	1	5		CHBFHM
CC1(C)CCc2cc3c(=O)c4ccccc4oc3c([O-])c2O1	ZINC000096928339	185132177	/nfs/dbraw/zinc/13/21/77/185132177.db2.gz	MLFQPQKMYSPJGK-UHFFFAOYSA-N	-1	3	296.322	3.755	1	5		CHBFHM
C=Cc1cccc2c1c1ccc([O-])c(C)c1oc2=O	ZINC000028571162	171564874	/nfs/dbraw/zinc/56/48/74/171564874.db2.gz	SJQIGIXIMHFJSV-UHFFFAOYSA-N	-1	3	252.269	3.603	1	5		CHBFHM
CC1(C)C=Cc2c(cc3oc4ccccc4c([O-])c-3c2=O)O1	ZINC000096932853	185132351	/nfs/dbraw/zinc/13/23/51/185132351.db2.gz	DFUSNNVZHPWEQA-UHFFFAOYSA-N	-1	3	294.306	3.836	1	5		CHBFHM
CC1(C)C=Cc2c([O-])c3c(cc2O1)oc1ccccc1c3=O	ZINC000096932853	185132352	/nfs/dbraw/zinc/13/23/52/185132352.db2.gz	DFUSNNVZHPWEQA-UHFFFAOYSA-N	-1	3	294.306	3.836	1	5		CHBFHM
Cc1c(O)ccc2c1ccc1cc([O-])cc(C=O)c12	ZINC000013335208	290873344	/nfs/dbraw/zinc/87/33/44/290873344.db2.gz	VTKYCHCADSWEBT-UHFFFAOYSA-N	-1	3	252.269	3.525	1	5	biogenic,in-vitro	CHBFHM