smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1c2[nH]c(CNC(=O)c3cccc(S(=O)(=O)F)c3)nc2c(=O)n(CCC)c1=O	ZINC000012405650	562959976	/nfs/dbraw/zinc/95/99/76/562959976.db2.gz	VDVSSKIIVMPSPR-UHFFFAOYSA-N	0	0	451.480	1.295	1	70		JDIFRN
CCCn1c2[nH]c(CCNC(=O)c3ccc(S(=O)(=O)F)cc3)nc2c(=O)n(CCC)c1=O	ZINC000012405655	562959950	/nfs/dbraw/zinc/95/99/50/562959950.db2.gz	PZMBKGJZSFEIOM-UHFFFAOYSA-N	0	0	465.507	1.337	1	70		JDIFRN
CCCn1c2[nH]c(CCCNC(=O)c3ccc(S(=O)(=O)F)cc3)nc2c(=O)n(CCC)c1=O	ZINC000012405656	562959972	/nfs/dbraw/zinc/95/99/72/562959972.db2.gz	NTTROYHIODZBSX-UHFFFAOYSA-N	0	0	479.534	1.727	1	70		JDIFRN
CCCn1c2[nH]c(CNC(=O)c3ccc(S(=O)(=O)F)cc3)nc2c(=O)n(CCC)c1=O	ZINC000012405654	562959977	/nfs/dbraw/zinc/95/99/77/562959977.db2.gz	IWKAWXIFWZOYGS-UHFFFAOYSA-N	0	0	451.480	1.295	1	70		JDIFRN
CCCn1c2[nH]c(CCNC(=O)c3cccc(S(=O)(=O)F)c3)nc2c(=O)n(CCC)c1=O	ZINC000012405651	562959961	/nfs/dbraw/zinc/95/99/61/562959961.db2.gz	QNIVOVVBDSGOEM-UHFFFAOYSA-N	0	0	465.507	1.337	1	70		JDIFRN
O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)OS(=O)(=O)C(F)(F)F)CO[C@@H]21	ZINC000049881496	563204577	/nfs/dbraw/zinc/20/45/77/563204577.db2.gz	WOSIHMSPFKVEAI-UMSGYPCISA-N	0	0	455.363	1.450	1	70	in-vivo	JDIFRN
CCCn1c2[nH]c(CCCNC(=O)c3cccc(S(=O)(=O)F)c3)nc2c(=O)n(CCC)c1=O	ZINC000012405652	562959979	/nfs/dbraw/zinc/95/99/79/562959979.db2.gz	NDOXGECHRSCPAH-UHFFFAOYSA-N	0	0	479.534	1.727	1	70		JDIFRN