smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2oc3cc([O-])c(CC=C(C)C)c([O-])c3c(=O)c2O)ccc1O	ZINC000005430808	560110520	/nfs/dbraw/zinc/11/05/20/560110520.db2.gz	UXTFKMCFQVSJLL-UHFFFAOYSA-N	-2	1	384.384	3.800	1	0	endogenous,in-man	GHAFML
O=C([O-])C1=C(NC(=O)CCc2noc3c2ccc2c(F)c([O-])ccc32)CCCC1	ZINC000040937980	205075403	/nfs/dbraw/zinc/07/54/03/205075403.db2.gz	JCDKFNXXFDJBPG-UHFFFAOYSA-N	-2	1	398.390	3.787	1	0		GHAFML
O=C1C[C@H](c2ccc(O)cc2)Oc2cc([O-])c(Cc3ccccc3O)c([O-])c21	ZINC000014811094	207029979	/nfs/dbraw/zinc/02/99/79/207029979.db2.gz	OEPZGPZSYKMOSV-LJQANCHMSA-N	-2	1	378.380	3.806	1	0		GHAFML
CC(C)=CCC/C(C)=C/CC[N@@H+](C)CCCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013473660	210063629	/nfs/dbraw/zinc/06/36/29/210063629.db2.gz	PNEIVJAQBZSMGD-XNTDXEJSSA-N	-2	1	399.361	3.617	1	0	in-vitro	GHAFML
COc1c(-c2ccoc2)ccc([N-]S(=O)(=O)c2ccc(F)cc2)c1C(=O)[O-]	ZINC000014965063	210135274	/nfs/dbraw/zinc/13/52/74/210135274.db2.gz	HCVSSQYRQFCKIO-UHFFFAOYSA-N	-2	1	391.376	3.593	1	0		GHAFML
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc([O-])c(Cc3ccccc3O)c([O-])c21	ZINC000014811092	210129373	/nfs/dbraw/zinc/12/93/73/210129373.db2.gz	OEPZGPZSYKMOSV-IBGZPJMESA-N	-2	1	378.380	3.806	1	0		GHAFML