smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C1=C([O-])[C@@]2(O)C(=O)c3c(O)c4c(O)cc(O)cc4cc3C[C@H]2[C@H](O)C1=O	ZINC000005855030	560203729	/nfs/dbraw/zinc/20/37/29/560203729.db2.gz	PVBMPOWPNVAEKO-KAFSRPFYSA-N	-1	0	400.339	0.387	1	30	in-vitro	HCEFRM
C=C(C(=O)[O-])[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@]2(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1	ZINC000095909405	291170965	/nfs/dbraw/zinc/17/09/65/291170965.db2.gz	AXCIWKFMHXCHTN-IUUONHNASA-N	-1	0	412.479	0.729	1	30	biogenic,in-vitro	HCEFRM
C=C(C(=O)[O-])[C@@H]1CC[C@@]2(C)CCC=C(C)[C@]2(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1	ZINC000095909406	291171016	/nfs/dbraw/zinc/17/10/16/291171016.db2.gz	MJSUVEADTASQDQ-ZEKJDWQUSA-N	-1	0	412.479	0.729	1	30	biogenic,in-vitro	HCEFRM
O=C(/C=C/c1ccccc1)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1[O-]	ZINC000003978972	560192945	/nfs/dbraw/zinc/19/29/45/560192945.db2.gz	SYDNPHFWTKACIZ-QXUFBKIYSA-N	-1	0	402.399	0.467	3	30	in-vitro	HCEFRM