smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)c1cccc(-c2ccc(C(=O)NCCCC[N@@H+]3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)c1	ZINC000042784558	562087764	/nfs/dbraw/zinc/08/77/64/562087764.db2.gz	OYCWFOLWJZRICL-UHFFFAOYSA-N	1	0	589.636	4.510	1	70		KJIFRO
CNC(=O)c1ccc(-c2ccc(C(=O)NCCCC[N@@H+]3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1	ZINC000042784640	562087756	/nfs/dbraw/zinc/08/77/56/562087756.db2.gz	AUFOWYXFFKBIDT-UHFFFAOYSA-N	1	0	589.636	4.510	1	70		KJIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)c2cccc3ccccc32)cc1	ZINC000043307547	562647553	/nfs/dbraw/zinc/64/75/53/562647553.db2.gz	USTBQSKRMYGJAA-SANMLTNESA-N	1	0	572.666	4.649	1	70		KJIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)c2cccc3ccccc32)cc1	ZINC000043307549	562647570	/nfs/dbraw/zinc/64/75/70/562647570.db2.gz	USTBQSKRMYGJAA-AREMUKBSSA-N	1	0	572.666	4.649	1	70		KJIFRO
CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)c[nH]c-2n1	ZINC000217076651	562877498	/nfs/dbraw/zinc/87/74/98/562877498.db2.gz	POFMIZPRPLFRFO-UHFFFAOYSA-N	1	0	510.642	4.686	1	70		KJIFRO
COc1ccccc1-c1c2nc(Nc3ccc(CN4CC[NH+](C)CC4)cc3OC(C)C)ncc2sc1C(N)=O	ZINC000217657209	562877743	/nfs/dbraw/zinc/87/77/43/562877743.db2.gz	YUAGJCVZVLZRDP-UHFFFAOYSA-N	1	0	546.697	4.744	1	70		KJIFRO