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(=[NH2+])N1c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307475	563119884	/nfs/dbraw/zinc/11/98/84/563119884.db2.gz	ZVAJQUGYIWRZKN-UHFFFAOYSA-N	2	1	448.480	1.548	1	70		IDIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CNC(=O)Nc2cccc(S(=O)(=O)F)c2)c1	ZINC000043307386	563119957	/nfs/dbraw/zinc/11/99/57/563119957.db2.gz	ZGPVLMRPVGYNPN-UHFFFAOYSA-N	2	1	447.496	1.852	1	70		IDIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043834639	563121371	/nfs/dbraw/zinc/12/13/71/563121371.db2.gz	FUKSMQMDIHARCM-UHFFFAOYSA-N	2	1	435.481	1.988	1	70		IDIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307536	563119877	/nfs/dbraw/zinc/11/98/77/563119877.db2.gz	AMHWMJVWJUIWRK-UHFFFAOYSA-N	2	1	432.481	1.712	1	70		IDIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043833424	563121359	/nfs/dbraw/zinc/12/13/59/563121359.db2.gz	UHCMTFBGBHQXSX-UHFFFAOYSA-N	2	1	447.496	1.852	1	70		IDIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCNC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307961	563120003	/nfs/dbraw/zinc/12/00/03/563120003.db2.gz	SDTGHBWKUJWQSJ-UHFFFAOYSA-N	2	1	446.508	1.503	1	70		IDIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CNC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043307582	563120013	/nfs/dbraw/zinc/12/00/13/563120013.db2.gz	OIAACAMEFKUWTA-UHFFFAOYSA-N	2	1	447.496	1.852	1	70		IDIFMP