smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c(=O)cc2oc3cc([O-])c(O)cc3c([O-])c-2c1[O-]	ZINC000014763066	560225747	/nfs/dbraw/zinc/22/57/47/560225747.db2.gz	ACRGTLGOYYTGNX-UHFFFAOYSA-N	-3	3	328.320	3.277	1	10	biogenic,in-vitro	EGCFHL
O=c1cc(-c2ccccc2)oc2c(CN3CCCC3)c([O-])cc([O-])c12	ZINC000072124365	203164868	/nfs/dbraw/zinc/16/48/68/203164868.db2.gz	GKJFTAHRQKCPRS-UHFFFAOYSA-N	-2	3	337.375	3.467	1	10		EGCFHL
CC(C)=CCc1c(O)c([O-])cc2oc3cc([O-])cc(O)c3c(=O)c21	ZINC000014763101	560225820	/nfs/dbraw/zinc/22/58/20/560225820.db2.gz	XRUKGBABAGTMIR-UHFFFAOYSA-N	-2	3	328.320	3.277	1	10	biogenic,in-vitro	EGCFHL
C[C@H]1Oc2cc3oc4c(O)c([O-])ccc4c([O-])c-3c(=O)c2C1(C)C	ZINC000013125732	211525022	/nfs/dbraw/zinc/52/50/22/211525022.db2.gz	UMGNGSNVYJDUQS-SSDOTTSWSA-N	-2	3	328.320	3.122	3	10	biogenic,in-vitro	EGCFHL
COc1cc2oc(-c3ccc([O-])c(O)c3OC)c(C=O)c2c([O-])c1	ZINC000015117903	560228505	/nfs/dbraw/zinc/22/85/05/560228505.db2.gz	VUKCFTVODWLXPK-UHFFFAOYSA-N	-2	3	330.292	3.046	1	10	biogenic,in-vitro	EGCFHL
C[C@H]1c2c(cc(=O)c3c([O-])c4ccc([O-])c(O)c4oc2-3)OC1(C)C	ZINC000085646247	290996264	/nfs/dbraw/zinc/99/62/64/290996264.db2.gz	CXVIOKUKRAYTPO-ZETCQYMHSA-N	-2	3	328.320	3.338	1	10	biogenic,in-vitro	EGCFHL
C[C@@H]1Oc2cc3oc4c(O)c([O-])ccc4c([O-])c-3c(=O)c2C1(C)C	ZINC000013125731	201056727	/nfs/dbraw/zinc/05/67/27/201056727.db2.gz	UMGNGSNVYJDUQS-ZETCQYMHSA-N	-2	3	328.320	3.122	3	10		EGCFHL
CC1(C)C=Cc2c(cc(=O)c3c([O-])c4c([O-])c(O)ccc4oc2-3)O1	ZINC000014780240	560226250	/nfs/dbraw/zinc/22/62/50/560226250.db2.gz	QFCIGJXDFQIUTI-UHFFFAOYSA-N	-2	3	326.304	3.247	1	10	biogenic,in-vitro	EGCFHL
CC1(C)C=Cc2c(cc([O-])c3c([O-])c4c(=O)c(O)ccc-4oc23)O1	ZINC000014780240	560226252	/nfs/dbraw/zinc/22/62/52/560226252.db2.gz	QFCIGJXDFQIUTI-UHFFFAOYSA-N	-2	3	326.304	3.247	1	10	biogenic,in-vitro	EGCFHL