smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218505388	557203918	/nfs/dbraw/zinc/20/39/18/557203918.db2.gz	JXEFUPCLSZUHPQ-OAHLLOKOSA-N	-1	3	442.390	2.084	50	70		IEIAHM
COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218329598	568741773	/nfs/dbraw/zinc/74/17/73/568741773.db2.gz	GJGUAEUINHNKDO-CYBMUJFWSA-N	-1	3	427.375	2.290	50	70		IEIAHM
COc1ccc(CCNC(=O)Cn2ccc3c2cccc3[N-]S(C)(=O)=O)cc1OC	ZINC000218161955	557180821	/nfs/dbraw/zinc/18/08/21/557180821.db2.gz	CHVJEPXJEYGGTF-UHFFFAOYSA-N	-1	3	431.514	2.389	50	70		IEIAHM
NC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218505475	557203937	/nfs/dbraw/zinc/20/39/37/557203937.db2.gz	JXEFUPCLSZUHPQ-HNNXBMFYSA-N	-1	3	442.390	2.084	50	70		IEIAHM
COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-]	ZINC000218329680	569457026	/nfs/dbraw/zinc/45/70/26/569457026.db2.gz	GJGUAEUINHNKDO-ZDUSSCGKSA-N	-1	3	427.375	2.290	50	70		IEIAHM