smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1c(C)c2c([O-])c3c(cc2cc1OC)C(=O)[C@@]1(O)[C@H](O)C(OC)=CC(=O)[C@@]1(O)C3=O	ZINC000004097281	560194550	/nfs/dbraw/zinc/19/45/50/560194550.db2.gz	ULHJWHCSSAEMLW-UEVCKROQSA-N	-1	1	472.402	-0.036	10	30	in-vitro	JBEEMM
COC(=O)c1c(C)c2c([O-])c3c(cc2cc1O)C(=O)[C@@]1(O)[C@H](O)C(OC)=CC(=O)[C@@]1(O)C3=O	ZINC000014722028	560224953	/nfs/dbraw/zinc/22/49/53/560224953.db2.gz	DFURSAVCHZIKSU-STZQEDGTSA-N	-1	1	458.375	-0.339	10	30	in-vitro	JBEEMM
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(C)C)C(=O)[O-]	ZINC000027991934	563054017	/nfs/dbraw/zinc/05/40/17/563054017.db2.gz	JEBJIPQVWIPQAG-XUXIUFHCSA-N	-1	1	450.627	-0.152	10	30		JBEEMM
C=C1c2cccc(O)c2C(=O)[C@]2(Cl)C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000033989921	569639463	/nfs/dbraw/zinc/63/94/63/569639463.db2.gz	NXGHTAFSIJUEPD-QXWMMVLTSA-N	-1	1	476.869	-0.703	10	30		JBEEMM