smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005274071	554488088	/nfs/dbraw/zinc/48/80/88/554488088.db2.gz	CAJXYXPLLJDEOB-SLFFLAALSA-N	1	3	478.594	1.661	50	5		JDBAHO
CN1CCN(CCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)CC1	ZINC000020575053	555830097	/nfs/dbraw/zinc/83/00/97/555830097.db2.gz	JCQBFTWVSLIIQJ-UHFFFAOYSA-N	1	3	455.563	1.615	50	5		JDBAHO
CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013542123	555489522	/nfs/dbraw/zinc/48/95/22/555489522.db2.gz	CAJXYXPLLJDEOB-UFYCRDLUSA-N	1	3	478.594	1.661	50	5		JDBAHO
CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005274073	554488025	/nfs/dbraw/zinc/48/80/25/554488025.db2.gz	CAJXYXPLLJDEOB-HSALFYBXSA-N	1	3	478.594	1.661	50	5		JDBAHO
CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000247722775	570068998	/nfs/dbraw/zinc/06/89/98/570068998.db2.gz	CAJXYXPLLJDEOB-AABGKKOBSA-N	1	3	478.594	1.661	50	5		JDBAHO