smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C\C(=O)OCC[N+](C)(C)C)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000238749691	717162663	/nfs/dbraw/zinc/16/26/63/717162663.db2.gz	TVUFOKXECAEVJJ-GMPSVPSDSA-N	1	0	472.511	-0.855	1	5		JBBFRO
COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000238760943	717162737	/nfs/dbraw/zinc/16/27/37/717162737.db2.gz	TVUFOKXECAEVJJ-XYGRDBBDSA-N	1	0	472.511	-0.855	1	5		JBBFRO
NC(=O)[C@@H]1CCCCNc2c(F)cc([N+](=O)[O-])cc2C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N1	ZINC000008829338	562955026	/nfs/dbraw/zinc/95/50/26/562955026.db2.gz	WYPMGKDZTANEMP-HOTGVXAUSA-N	1	0	495.512	-0.357	3	5		JBBFRO