smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CC(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1	ZINC000736762872	944885169	/nfs/dbraw/zinc/88/51/69/944885169.db2.gz	KXIQYEAQXJBPAW-UHFFFAOYSA-N	1	1	318.341	-1.012	20	50		DAGDMO
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NNC(=O)C(=O)[O-]	ZINC001599836249	988747932	/nfs/dbraw/zinc/74/79/32/988747932.db2.gz	WNIHLNFFOWIUIN-VIFPVBQESA-N	1	1	303.363	-1.327	20	50		DAGDMO
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NNC(=O)C(=O)[O-]	ZINC001599836249	988747937	/nfs/dbraw/zinc/74/79/37/988747937.db2.gz	WNIHLNFFOWIUIN-VIFPVBQESA-N	1	1	303.363	-1.327	20	50		DAGDMO
C[NH+](C)CC(=O)NNC(=O)COc1cccc(-c2nn[nH]n2)c1	ZINC000736765043	944886981	/nfs/dbraw/zinc/88/69/81/944886981.db2.gz	SXNLSWHDGMFYKO-UHFFFAOYSA-N	1	1	319.325	-1.046	20	50		DAGDMO
C[NH+](C)CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000736765066	944886061	/nfs/dbraw/zinc/88/60/61/944886061.db2.gz	TUIJCVQTVMYLOX-UHFFFAOYSA-N	1	1	319.325	-1.046	20	50		DAGDMO
C[NH+](C)CC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000736764348	944886141	/nfs/dbraw/zinc/88/61/41/944886141.db2.gz	PMAQVHCRPWNYNX-UHFFFAOYSA-N	1	1	319.325	-1.046	20	50		DAGDMO