smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000004095654	545761570	/nfs/dbraw/zinc/76/15/70/545761570.db2.gz	SYJXFKPQNSDJLI-HKEUSBCWSA-N	4	0	322.362	-5.116	50	0	in-vivo	DAAARP
[NH3+]C[C@@H]1O[C@H](O[C@@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O)[C@@H]2O)[C@H]([NH3+])[C@H](O)[C@H]1O	ZINC000245224243	373131674	/nfs/dbraw/zinc/13/16/74/373131674.db2.gz	SYJXFKPQNSDJLI-KSXKHGLLSA-N	4	0	322.362	-5.116	50	0		DAAARP
O=C(N1CCN(c2cnccn2)CC1)C12C[NH2+]CC1C[NH2+]C2	ZINC000065525960	678140327	/nfs/dbraw/zinc/14/03/27/678140327.db2.gz	VAVIPLCYOOIXEK-UHFFFAOYSA-N	2	0	302.382	-1.066	50	0		DAAARP
[NH3+]C[C@@H]1O[C@H](O[C@@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O)[C@@H]2O)[C@H]([NH3+])[C@@H](O)[C@H]1O	ZINC000245224242	295260632	/nfs/dbraw/zinc/26/06/32/295260632.db2.gz	SYJXFKPQNSDJLI-KFRVGZDBSA-N	4	0	322.362	-5.116	50	0		DAAARP
[NH3+][C@H]1CO[C@@H](CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2[NH3+])[C@H]1O	ZINC000953119990	781544852	/nfs/dbraw/zinc/54/48/52/781544852.db2.gz	DNYLJXXVQKKVEV-KJDUBMKQSA-N	2	0	324.330	-4.783	50	0		DAAARP
[NH3+][C@@H]1CO[C@@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2[NH3+])[C@H]1O	ZINC000953119987	781544927	/nfs/dbraw/zinc/54/49/27/781544927.db2.gz	DNYLJXXVQKKVEV-CMDXQRDWSA-N	2	0	324.330	-4.783	50	0		DAAARP
O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CC[NH2+]C[C@H](O)C1	ZINC000097716883	372846309	/nfs/dbraw/zinc/84/63/09/372846309.db2.gz	KVWADNFYMMAURF-LBPRGKRZSA-N	2	0	323.401	-2.410	50	0		DAAARP
O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CC[NH2+]C[C@@H](O)C1	ZINC000097716886	372847920	/nfs/dbraw/zinc/84/79/20/372847920.db2.gz	KVWADNFYMMAURF-GFCCVEGCSA-N	2	0	323.401	-2.410	50	0		DAAARP
CN(C)C1=NC2(CC[NH+](CC(=O)N3CC[NH2+]CC3)CC2)C(=O)N1	ZINC000823652372	776201052	/nfs/dbraw/zinc/20/10/52/776201052.db2.gz	LGPTVZWHFLUFBZ-UHFFFAOYSA-N	2	0	322.413	-1.700	50	0		DAAARP
COCC[NH+]1CCC(C[N@@H+]2CCN3C(=O)CNC(=O)[C@H]3C2)CC1	ZINC000065533608	285008886	/nfs/dbraw/zinc/00/88/86/285008886.db2.gz	LMBFLDTZTWPMTM-CQSZACIVSA-N	2	0	324.425	-1.013	50	0		DAAARP
C[NH+](C)CCN(CCC(=O)N1CC[NH2+]CC1)S(C)(=O)=O	ZINC000015862663	182022656	/nfs/dbraw/zinc/02/26/56/182022656.db2.gz	GPXRIENSRRRGLJ-UHFFFAOYSA-N	2	0	306.432	-1.369	50	0		DAAARP
[NH3+]C[C@@H]1O[C@H](O[C@@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O)[C@@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000245224241	373131485	/nfs/dbraw/zinc/13/14/85/373131485.db2.gz	SYJXFKPQNSDJLI-HHCLWYRDSA-N	4	0	322.362	-5.116	50	0		DAAARP
OCCN1CC[NH+](CCO)CCOCC[N@@H+](CCO)CC1	ZINC000019361065	372805483	/nfs/dbraw/zinc/80/54/83/372805483.db2.gz	TUENNYSZDXTGLN-UHFFFAOYSA-N	2	0	305.419	-2.101	50	0		DAAARP
[NH3+]C[C@@H]1O[C@H](O[C@@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O)[C@@H]2O)[C@H]([NH3+])[C@H](O)[C@@H]1O	ZINC000059846619	295260639	/nfs/dbraw/zinc/26/06/39/295260639.db2.gz	SYJXFKPQNSDJLI-QJDHDDNUSA-N	4	0	322.362	-5.116	50	0	in-vitro	DAAARP
COCC[NH+]1CCC(C[N@@H+]2CCN3C(=O)CNC(=O)[C@@H]3C2)CC1	ZINC000065533605	277219167	/nfs/dbraw/zinc/21/91/67/277219167.db2.gz	LMBFLDTZTWPMTM-AWEZNQCLSA-N	2	0	324.425	-1.013	50	0		DAAARP
[NH3+][C@@H]1CO[C@@H](CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2[NH3+])[C@H]1O	ZINC000953119989	781544781	/nfs/dbraw/zinc/54/47/81/781544781.db2.gz	DNYLJXXVQKKVEV-JLLWYAATSA-N	2	0	324.330	-4.783	50	0		DAAARP
[NH3+][C@H]1CO[C@@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2[NH3+])[C@H]1O	ZINC000953119988	781545449	/nfs/dbraw/zinc/54/54/49/781545449.db2.gz	DNYLJXXVQKKVEV-HMZZNCNCSA-N	2	0	324.330	-4.783	50	0		DAAARP