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)[N-]S(=O)(=O)c1cc(-c2ccn(C(F)F)c(=O)c2)ccc1C(=O)[O-]	ZINC000045302124	205093874	/nfs/dbraw/zinc/09/38/74/205093874.db2.gz	DIRIVBQYONNWEG-UHFFFAOYSA-N	-2	0	386.332	2.274	1	30		GEEFRL
O=C([O-])CC[C@@]1(O)Oc2cc(O)c3c(c2=C1c1ccc(O)cc1)=CC([O-])=CC3=O	ZINC000013368980	210059792	/nfs/dbraw/zinc/05/97/92/210059792.db2.gz	BQQLBLJEWDRNKI-OAQYLSRUSA-N	-2	0	396.351	2.378	1	30		GEEFRL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C(=O)[O-])CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]	ZINC000033914447	291113501	/nfs/dbraw/zinc/11/35/01/291113501.db2.gz	AUKMHZZVLPQAOX-CDNFTCFOSA-N	-3	0	378.421	2.140	1	30	biogenic,in-vitro	GEEFRL
C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C(=O)[O-])CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100781447	571835431	/nfs/dbraw/zinc/83/54/31/571835431.db2.gz	AUKMHZZVLPQAOX-XWNVUEKUSA-N	-3	0	378.421	2.140	1	30	endogenous,in-man	GEEFRL
C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C(=O)[O-])CCC[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100781442	222463350	/nfs/dbraw/zinc/46/33/50/222463350.db2.gz	AUKMHZZVLPQAOX-ZVPRDVSYSA-N	-3	0	378.421	2.140	1	30	endogenous,in-man	GEEFRL
C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C(=O)[O-])CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100781445	571835427	/nfs/dbraw/zinc/83/54/27/571835427.db2.gz	AUKMHZZVLPQAOX-BAQODEMSSA-N	-3	0	378.421	2.140	1	30	endogenous,in-man	GEEFRL
C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C(=O)[O-])CCC[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100781450	571835412	/nfs/dbraw/zinc/83/54/12/571835412.db2.gz	AUKMHZZVLPQAOX-POFPXGFWSA-N	-3	0	378.421	2.140	1	30	endogenous,in-man	GEEFRL