smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969505	562695985	/nfs/dbraw/zinc/69/59/85/562695985.db2.gz	XAWDUWIMLUFTOM-KRWDZBQOSA-N	-2	2	543.512	1.961	1	5		KDBFLL
Nc1nc(=O)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969505	562695984	/nfs/dbraw/zinc/69/59/84/562695984.db2.gz	XAWDUWIMLUFTOM-KRWDZBQOSA-N	-2	2	543.512	1.961	1	5		KDBFLL
Nc1nc(N)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969510	562696037	/nfs/dbraw/zinc/69/60/37/562696037.db2.gz	XAWDUWIMLUFTOM-QGZVFWFLSA-N	-2	2	543.512	1.961	1	5		KDBFLL
Nc1nc(=O)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969510	562696036	/nfs/dbraw/zinc/69/60/36/562696036.db2.gz	XAWDUWIMLUFTOM-QGZVFWFLSA-N	-2	2	543.512	1.961	1	5		KDBFLL
Nc1nc(N)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969745	562696009	/nfs/dbraw/zinc/69/60/09/562696009.db2.gz	JPHPFJYYXFGCOF-HNNXBMFYSA-N	-2	2	588.509	1.869	1	5		KDBFLL
Nc1nc(=O)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])c(N)[nH]1	ZINC000052969745	562696008	/nfs/dbraw/zinc/69/60/08/562696008.db2.gz	JPHPFJYYXFGCOF-HNNXBMFYSA-N	-2	2	588.509	1.869	1	5		KDBFLL
Nc1nc(N)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969750	562696041	/nfs/dbraw/zinc/69/60/41/562696041.db2.gz	JPHPFJYYXFGCOF-OAHLLOKOSA-N	-2	2	588.509	1.869	1	5		KDBFLL
Nc1nc(=O)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])c(N)[nH]1	ZINC000052969750	562696040	/nfs/dbraw/zinc/69/60/40/562696040.db2.gz	JPHPFJYYXFGCOF-OAHLLOKOSA-N	-2	2	588.509	1.869	1	5		KDBFLL
O=C([O-])CC[C@H](N[P@@](=O)([O-])OC[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc32)c(C(=O)[O-])c1)C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000095548801	562759490	/nfs/dbraw/zinc/75/94/90/562759490.db2.gz	MWPSEIQQEIKFDS-HJOGWXRNSA-N	-6	2	801.607	1.526	1	5		KDBFLL