smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(Sc2ccc([N+](=O)[O-])c3nonc32)n1	ZINC000005464391	527559119	/nfs/dbraw/zinc/55/91/19/527559119.db2.gz	KPNFSARMBBISMK-FUJBHPEBSA-N	0	0	462.404	-0.384	40	5		JBBBRN
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(Sc2ccc([N+](=O)[O-])c3nonc32)n1	ZINC000005464394	527559783	/nfs/dbraw/zinc/55/97/83/527559783.db2.gz	KPNFSARMBBISMK-JAZNNFLHSA-N	0	0	462.404	-0.384	40	5		JBBBRN
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(Sc2ccc([N+](=O)[O-])c3nonc32)n1	ZINC000005464398	527559673	/nfs/dbraw/zinc/55/96/73/527559673.db2.gz	KPNFSARMBBISMK-JDEUXUEQSA-N	0	0	462.404	-0.384	40	5		JBBBRN
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(Sc2ccc([N+](=O)[O-])c3nonc32)n1	ZINC000005464406	527559824	/nfs/dbraw/zinc/55/98/24/527559824.db2.gz	KPNFSARMBBISMK-LEIJVIABSA-N	0	0	462.404	-0.384	40	5		JBBBRN
COC(=O)C(O)=C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O	ZINC000005723756	554493230	/nfs/dbraw/zinc/49/32/30/554493230.db2.gz	QCGOBUIZJGXCQS-CQSZACIVSA-N	0	0	481.377	-0.036	40	5		JBBBRN
Nc1nc2ncc(-c3[nH]nc(-c4n[nH]c(-c5cnc6nc(N)nn6c5)c4[N+](=O)[O-])c3[N+](=O)[O-])cn2n1	ZINC000013642412	555548132	/nfs/dbraw/zinc/54/81/32/555548132.db2.gz	ZTQKRYMJCQYGGZ-UHFFFAOYSA-N	0	0	490.364	-0.010	40	5		JBBBRN
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000253498019	570100498	/nfs/dbraw/zinc/10/04/98/570100498.db2.gz	LRWGRHODUMQEKS-GRHWWUNPSA-N	0	0	491.373	-0.859	40	5		JBBBRN
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000253498020	570100561	/nfs/dbraw/zinc/10/05/61/570100561.db2.gz	LRWGRHODUMQEKS-IWCJZZDYSA-N	0	0	491.373	-0.859	40	5		JBBBRN
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000253498021	570100549	/nfs/dbraw/zinc/10/05/49/570100549.db2.gz	LRWGRHODUMQEKS-KEAXFYSCSA-N	0	0	491.373	-0.859	40	5		JBBBRN
CO[P@](=O)(O[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)O[P@](=O)([O-])OCC[N+](C)(C)C	ZINC001569989206	1069306361	/nfs/dbraw/zinc/30/63/61/1069306361.db2.gz	CCEFPICGXYXVOI-UOEIAEBESA-O	0	0	489.335	-0.744	40	5		JBBBRN
CO[P@@](=O)(O[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)O[P@](=O)([O-])OCC[N+](C)(C)C	ZINC001569989207	1069306040	/nfs/dbraw/zinc/30/60/40/1069306040.db2.gz	CCEFPICGXYXVOI-WTSWEKHASA-O	0	0	489.335	-0.744	40	5		JBBBRN