smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CNC(=O)CN1CCOCCOCC[NH+](CC(=O)NCC(=O)[O-])CCOCCOCC1	ZINC000004577540	527611451	/nfs/dbraw/zinc/61/14/51/527611451.db2.gz	UOEUSFVQCJWZHK-UHFFFAOYSA-N	-1	2	492.526	-2.928	50	0		JAAALM
NC1=[NH+][C@H]2NC[C@@H](CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)N(C=O)C2=C(O)N1	ZINC000013511881	555483555	/nfs/dbraw/zinc/48/35/55/555483555.db2.gz	BAGAZEJCJKQNAA-BFJAYTPKSA-N	-1	2	475.462	-2.284	50	0		JAAALM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1I	ZINC000013518175	555485654	/nfs/dbraw/zinc/48/56/54/555485654.db2.gz	HXJLWCWPONZYNP-UAKXSSHOSA-N	-1	2	450.078	-2.130	50	0	in-vitro	JAAALM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1I	ZINC000013518175	555485652	/nfs/dbraw/zinc/48/56/52/555485652.db2.gz	HXJLWCWPONZYNP-UAKXSSHOSA-N	-1	2	450.078	-2.130	50	0	in-vitro	JAAALM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2O)cc1I	ZINC000146121933	569867823	/nfs/dbraw/zinc/86/78/23/569867823.db2.gz	HXJLWCWPONZYNP-BYPJNBLXSA-N	-1	2	450.078	-2.130	50	0		JAAALM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]2O)cc1I	ZINC000146121933	569867822	/nfs/dbraw/zinc/86/78/22/569867822.db2.gz	HXJLWCWPONZYNP-BYPJNBLXSA-N	-1	2	450.078	-2.130	50	0		JAAALM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)cc1I	ZINC000146122150	569867874	/nfs/dbraw/zinc/86/78/74/569867874.db2.gz	HXJLWCWPONZYNP-FZGKIIIMSA-N	-1	2	450.078	-2.130	50	0		JAAALM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)cc1I	ZINC000146122150	569867873	/nfs/dbraw/zinc/86/78/73/569867873.db2.gz	HXJLWCWPONZYNP-FZGKIIIMSA-N	-1	2	450.078	-2.130	50	0		JAAALM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1I	ZINC000146122317	569867858	/nfs/dbraw/zinc/86/78/58/569867858.db2.gz	HXJLWCWPONZYNP-MNCSTQPFSA-N	-1	2	450.078	-2.130	50	0		JAAALM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1I	ZINC000146122317	569867857	/nfs/dbraw/zinc/86/78/57/569867857.db2.gz	HXJLWCWPONZYNP-MNCSTQPFSA-N	-1	2	450.078	-2.130	50	0		JAAALM
NC1=[NH+][C@H]2NC[C@H](CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)N(C=O)C2=C(O)N1	ZINC000252485840	570081867	/nfs/dbraw/zinc/08/18/67/570081867.db2.gz	BAGAZEJCJKQNAA-LQKXBSAESA-N	-1	2	475.462	-2.284	50	0		JAAALM
NC1=[NH+][C@H]2NC[C@@H](CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)N(C=O)C2=C(O)N1	ZINC000252485841	570081835	/nfs/dbraw/zinc/08/18/35/570081835.db2.gz	BAGAZEJCJKQNAA-LUYZLQTOSA-N	-1	2	475.462	-2.284	50	0		JAAALM