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(=[NH2+])NC(=N)N1c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307475	563119882	/nfs/dbraw/zinc/11/98/82/563119882.db2.gz	ZVAJQUGYIWRZKN-UHFFFAOYSA-N	1	0	448.480	1.548	1	70		IDIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CNC(=O)Nc2cccc(S(=O)(=O)F)c2)c1	ZINC000043307386	563119955	/nfs/dbraw/zinc/11/99/55/563119955.db2.gz	ZGPVLMRPVGYNPN-UHFFFAOYSA-N	1	0	447.496	1.852	1	70		IDIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(OCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043834639	563121369	/nfs/dbraw/zinc/12/13/69/563121369.db2.gz	FUKSMQMDIHARCM-UHFFFAOYSA-N	1	0	435.481	1.988	1	70		IDIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307536	563119876	/nfs/dbraw/zinc/11/98/76/563119876.db2.gz	AMHWMJVWJUIWRK-UHFFFAOYSA-N	1	0	432.481	1.712	1	70		IDIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043833424	563121357	/nfs/dbraw/zinc/12/13/57/563121357.db2.gz	UHCMTFBGBHQXSX-UHFFFAOYSA-N	1	0	447.496	1.852	1	70		IDIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCNC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307961	563120002	/nfs/dbraw/zinc/12/00/02/563120002.db2.gz	SDTGHBWKUJWQSJ-UHFFFAOYSA-N	1	0	446.508	1.503	1	70		IDIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CNC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043307582	563120012	/nfs/dbraw/zinc/12/00/12/563120012.db2.gz	OIAACAMEFKUWTA-UHFFFAOYSA-N	1	0	447.496	1.852	1	70		IDIFRO