smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)cc2c1C(=O)c1c(O)cc(CO)cc1C2=O	ZINC000005999029	560109274	/nfs/dbraw/zinc/10/92/74/560109274.db2.gz	SNBGJGNOQURXCI-UHFFFAOYSA-N	-2	1	300.266	1.374	10	10	endogenous,in-man	DDCEML
O=C1C(O)=C([O-])C([O-])=C2OC(c3ccccc3)C(=O)C(O)=C12	ZINC000014645330	406876256	/nfs/dbraw/zinc/87/62/56/406876256.db2.gz	RNKSNQNKTRGJSZ-UHFFFAOYSA-N	-2	1	302.238	1.988	10	10	biogenic,in-vitro	DDCEML
O=C1[N-]C(=S)S/C1=C/c1ccc(S(=O)(=O)[O-])cc1	ZINC000090661174	185308314	/nfs/dbraw/zinc/30/83/14/185308314.db2.gz	LNSHEIHQRFZLLE-VMPITWQZSA-N	-2	1	301.370	1.422	10	10		DDCEML
O=C([O-])c1cccc(-c2ccc(C=C3NC(=S)[N-]C3=O)o2)c1	ZINC000034387279	406963939	/nfs/dbraw/zinc/96/39/39/406963939.db2.gz	LTMSPBMJBBAVBQ-XFFZJAGNSA-N	-2	1	314.322	1.990	10	10		DDCEML