smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1[C@H](Cc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300548	562647448	/nfs/dbraw/zinc/64/74/48/562647448.db2.gz	ZKQIMZLNOXBJLE-QHCPKHFHSA-N	2	1	536.633	3.804	1	70		KHIFMP
COc1cccc([C@@H](Cc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300600	562647453	/nfs/dbraw/zinc/64/74/53/562647453.db2.gz	XATBCJYYWCCTQR-HSZRJFAPSA-N	2	1	552.632	3.504	1	70		KHIFMP
COc1ccccc1[C@@H](Cc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043307384	562647529	/nfs/dbraw/zinc/64/75/29/562647529.db2.gz	NEROVILGNUVAAL-JOCHJYFZSA-N	2	1	552.632	3.504	1	70		KHIFMP
Cc1cccc([C@@H](Cc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307491	562647503	/nfs/dbraw/zinc/64/75/03/562647503.db2.gz	GRSGPYOXHOWBAB-HSZRJFAPSA-N	2	1	536.633	3.804	1	70		KHIFMP
Cc1cccc([C@H](Cc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307493	562647522	/nfs/dbraw/zinc/64/75/22/562647522.db2.gz	GRSGPYOXHOWBAB-QHCPKHFHSA-N	2	1	536.633	3.804	1	70		KHIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc([C@@H](CC(=O)Nc2ccc(S(=O)(=O)F)cc2)c2ccccc2)cc1	ZINC000043307507	562647535	/nfs/dbraw/zinc/64/75/35/562647535.db2.gz	NAYZKURXZCWPRI-QFIPXVFZSA-N	2	1	522.606	3.691	1	70		KHIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc([C@H](CC(=O)Nc2ccc(S(=O)(=O)F)cc2)c2ccccc2)cc1	ZINC000043307509	562647520	/nfs/dbraw/zinc/64/75/20/562647520.db2.gz	NAYZKURXZCWPRI-JOCHJYFZSA-N	2	1	522.606	3.691	1	70		KHIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(C[C@@H](CCc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307541	562647501	/nfs/dbraw/zinc/64/75/01/562647501.db2.gz	BMVGZONOZDMFBR-OAQYLSRUSA-N	2	1	550.660	3.961	1	70		KHIFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(C[C@H](CCc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307543	562647589	/nfs/dbraw/zinc/64/75/89/562647589.db2.gz	BMVGZONOZDMFBR-NRFANRHFSA-N	2	1	550.660	3.961	1	70		KHIFMP
Cc1ccc([C@H](Cc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307553	562647562	/nfs/dbraw/zinc/64/75/62/562647562.db2.gz	LZDBUFATYNEMLR-QHCPKHFHSA-N	2	1	536.633	3.804	1	70		KHIFMP
CC(=O)N1CCC([NH+]2CCC(c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CC[NH+](C)CC5)c3C)C(=O)N4)CC2)CC1	ZINC000218175011	562877866	/nfs/dbraw/zinc/87/78/66/562877866.db2.gz	FFAMPRWCQVWOFX-RRAHZORUSA-N	2	1	572.754	3.702	1	70		KHIFMP