smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](C[NH3+])[C@@H](O)[C@@H](O)[C@H]1NC(=O)c1ccccc1	ZINC000005125128	556033254	/nfs/dbraw/zinc/03/32/54/556033254.db2.gz	WFXDPJCHTGIKNZ-NKSLTZCDSA-N	2	1	426.470	-3.644	40	0		IAABMP
N[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](C[NH3+])[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1ccccc1	ZINC000005125129	556033259	/nfs/dbraw/zinc/03/32/59/556033259.db2.gz	WFXDPJCHTGIKNZ-MYBBWRRRSA-N	2	1	426.470	-3.644	40	0		IAABMP
N[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccccc1	ZINC000005125130	556033219	/nfs/dbraw/zinc/03/32/19/556033219.db2.gz	WFXDPJCHTGIKNZ-NWUBGVNISA-N	2	1	426.470	-3.644	40	0		IAABMP
N[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](C[NH3+])[C@@H](O)[C@H](O)[C@@H]1NC(=O)c1ccccc1	ZINC000005125131	556033265	/nfs/dbraw/zinc/03/32/65/556033265.db2.gz	WFXDPJCHTGIKNZ-XYJQKNAASA-N	2	1	426.470	-3.644	40	0		IAABMP
C[NH+]1CCC([NH2+]C[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCS(=O)(=O)CC4)O[C@@H]3[C@@H]2O)CC1	ZINC000604381953	557236868	/nfs/dbraw/zinc/23/68/68/557236868.db2.gz	WMOLVAJNZLKSCL-SGFSRKTBSA-N	2	1	431.555	-1.397	40	0	biogenic,in-vitro	IAABMP