smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043300635	563119873	/nfs/dbraw/zinc/11/98/73/563119873.db2.gz	OMSHIIAGTDRPGZ-UHFFFAOYSA-N	1	3	448.480	1.548	40	70		IDIBHO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043307431	563119918	/nfs/dbraw/zinc/11/99/18/563119918.db2.gz	DPNCZVKDIHWRJS-UHFFFAOYSA-N	1	3	432.481	1.712	40	70		IDIBHO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCOc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307425	563119895	/nfs/dbraw/zinc/11/98/95/563119895.db2.gz	OIQSPSCUMIHGDS-UHFFFAOYSA-N	1	3	435.481	1.988	40	70		IDIBHO
CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300528	563119964	/nfs/dbraw/zinc/11/99/64/563119964.db2.gz	NJLWMYZHNVATEF-UHFFFAOYSA-N	1	3	432.481	1.712	40	70		IDIBHO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307703	563120046	/nfs/dbraw/zinc/12/00/46/563120046.db2.gz	GSIUJSNPJKROIZ-UHFFFAOYSA-N	1	3	448.480	1.548	40	70		IDIBHO