smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C[NH3+])C1	ZINC000577850938	372777355	/nfs/dbraw/zinc/77/73/55/372777355.db2.gz	UMEPCSCNPGPDLK-MRVPVSSYSA-N	2	2	283.292	-1.712	20	5		CABDLP
C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C[NH3+])C1	ZINC000577850938	372777364	/nfs/dbraw/zinc/77/73/64/372777364.db2.gz	UMEPCSCNPGPDLK-MRVPVSSYSA-N	2	2	283.292	-1.712	20	5		CABDLP
C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1	ZINC000563152963	373019046	/nfs/dbraw/zinc/01/90/46/373019046.db2.gz	YEFQRAIFEGPDNT-VIFPVBQESA-N	2	2	282.304	-1.107	20	5		CABDLP
C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1	ZINC000563152963	373019058	/nfs/dbraw/zinc/01/90/58/373019058.db2.gz	YEFQRAIFEGPDNT-VIFPVBQESA-N	2	2	282.304	-1.107	20	5		CABDLP
C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338652	782136768	/nfs/dbraw/zinc/13/67/68/782136768.db2.gz	HDBQFRUIQUGMCV-MNOVXSKESA-N	2	2	287.320	-1.336	20	5		CABDLP
C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1	ZINC000576518279	335213728	/nfs/dbraw/zinc/21/37/28/335213728.db2.gz	XKJWHXUAWHOWPO-VIFPVBQESA-N	2	2	282.304	-1.107	20	5		CABDLP
C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1	ZINC000576518279	335213730	/nfs/dbraw/zinc/21/37/30/335213730.db2.gz	XKJWHXUAWHOWPO-VIFPVBQESA-N	2	2	282.304	-1.107	20	5		CABDLP
C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338654	782136909	/nfs/dbraw/zinc/13/69/09/782136909.db2.gz	HDBQFRUIQUGMCV-QWRGUYRKSA-N	2	2	287.320	-1.336	20	5		CABDLP
C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338655	782137684	/nfs/dbraw/zinc/13/76/84/782137684.db2.gz	HDBQFRUIQUGMCV-WDEREUQCSA-N	2	2	287.320	-1.336	20	5		CABDLP
C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338637	782137251	/nfs/dbraw/zinc/13/72/51/782137251.db2.gz	HDBQFRUIQUGMCV-GHMZBOCLSA-N	2	2	287.320	-1.336	20	5		CABDLP
C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1	ZINC000577850939	372777750	/nfs/dbraw/zinc/77/77/50/372777750.db2.gz	UMEPCSCNPGPDLK-QMMMGPOBSA-N	2	2	283.292	-1.712	20	5		CABDLP
C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1	ZINC000577850939	372777758	/nfs/dbraw/zinc/77/77/58/372777758.db2.gz	UMEPCSCNPGPDLK-QMMMGPOBSA-N	2	2	283.292	-1.712	20	5		CABDLP
C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1	ZINC000563152962	373019247	/nfs/dbraw/zinc/01/92/47/373019247.db2.gz	YEFQRAIFEGPDNT-SECBINFHSA-N	2	2	282.304	-1.107	20	5		CABDLP
C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1	ZINC000563152962	373019252	/nfs/dbraw/zinc/01/92/52/373019252.db2.gz	YEFQRAIFEGPDNT-SECBINFHSA-N	2	2	282.304	-1.107	20	5		CABDLP
C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C[NH3+])C1	ZINC000576518278	335213597	/nfs/dbraw/zinc/21/35/97/335213597.db2.gz	XKJWHXUAWHOWPO-SECBINFHSA-N	2	2	282.304	-1.107	20	5		CABDLP
C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C[NH3+])C1	ZINC000576518278	335213598	/nfs/dbraw/zinc/21/35/98/335213598.db2.gz	XKJWHXUAWHOWPO-SECBINFHSA-N	2	2	282.304	-1.107	20	5		CABDLP