smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1	ZINC000016385649	374813936	/nfs/dbraw/zinc/81/39/36/374813936.db2.gz	XWUXMGHMKBBAFM-VVINSQQGSA-N	0	2	328.277	-1.481	40	30		EAEBLN
[NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)[O-]	ZINC000039817543	213242544	/nfs/dbraw/zinc/24/25/44/213242544.db2.gz	MVORZMQFXBLMHM-WDEREUQCSA-N	0	2	340.384	-1.066	40	30	in-man	EAEBLN
O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000253578095	374378964	/nfs/dbraw/zinc/37/89/64/374378964.db2.gz	XWUXMGHMKBBAFM-BUDRZHSMSA-N	0	2	328.277	-1.481	40	30		EAEBLN
O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)c1	ZINC000253578096	374378947	/nfs/dbraw/zinc/37/89/47/374378947.db2.gz	XWUXMGHMKBBAFM-KFYBUAHASA-N	0	2	328.277	-1.481	40	30		EAEBLN
O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@H]2O)c1	ZINC000253578097	374379443	/nfs/dbraw/zinc/37/94/43/374379443.db2.gz	XWUXMGHMKBBAFM-ZEGMBKQMSA-N	0	2	328.277	-1.481	40	30		EAEBLN