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@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000098044080	349651130	/nfs/dbraw/zinc/65/11/30/349651130.db2.gz	BCUATUQRWYXUCA-LLVKDONJSA-N	2	2	275.268	0.826	40	5		CCBBLP
C[NH+]1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)CC1	ZINC000225238687	352001472	/nfs/dbraw/zinc/00/14/72/352001472.db2.gz	XHOQGMFKYZGFIW-UHFFFAOYSA-N	2	2	264.289	0.584	40	5		CCBBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc([N+](=O)[O-])cc1	ZINC000005231540	388762798	/nfs/dbraw/zinc/76/27/98/388762798.db2.gz	VBQIIQBXWKJQKX-UHFFFAOYSA-N	2	2	262.273	0.780	40	5		CCBBLP
C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000008497760	170338117	/nfs/dbraw/zinc/33/81/17/170338117.db2.gz	JIVREELKVCDLPZ-JTQLQIEISA-N	2	2	253.302	0.655	40	5		CCBBLP
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899767	170037774	/nfs/dbraw/zinc/03/77/74/170037774.db2.gz	BCUATUQRWYXUCA-NSHDSACASA-N	2	2	275.268	0.826	40	5		CCBBLP
C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000008535021	170339087	/nfs/dbraw/zinc/33/90/87/170339087.db2.gz	JZLUYGDUTXGRKK-SNVBAGLBSA-N	2	2	253.302	0.655	40	5		CCBBLP
C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000008535008	388764670	/nfs/dbraw/zinc/76/46/70/388764670.db2.gz	JIVREELKVCDLPZ-SNVBAGLBSA-N	2	2	253.302	0.655	40	5		CCBBLP
C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000008497799	170338162	/nfs/dbraw/zinc/33/81/62/170338162.db2.gz	JZLUYGDUTXGRKK-JTQLQIEISA-N	2	2	253.302	0.655	40	5		CCBBLP