smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNC(=O)c1ccc2c3c([nH]n2CC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc2nc31	ZINC000026982151	563038664	/nfs/dbraw/zinc/03/86/64/563038664.db2.gz	BRJCWLAJNRFSIY-UHFFFAOYSA-N	1	3	463.542	2.966	1	5		JFBFHO
COC(=O)[C@@H](Cc1cn(Sc2ccc([N+](=O)[O-])cc2)c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000029408914	563102975	/nfs/dbraw/zinc/10/29/75/563102975.db2.gz	SFRHEWSBWYNWFB-LEWJYISDSA-N	1	3	499.593	2.762	1	5		JFBFHO
COC(=O)[C@H](Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12)NC(=O)[C@H](N)CCCC[NH3+]	ZINC000029394291	563102050	/nfs/dbraw/zinc/10/20/50/563102050.db2.gz	QGTJIZCTYUGOEQ-MOPGFXCFSA-N	1	3	499.593	2.762	1	5		JFBFHO
COC(=O)[C@@H](Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000029394286	563101925	/nfs/dbraw/zinc/10/19/25/563101925.db2.gz	QGTJIZCTYUGOEQ-RBUKOAKNSA-N	1	3	499.593	2.762	1	5		JFBFHO
COC(=O)[C@H](Cc1cn(Sc2ccc([N+](=O)[O-])cc2)c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000029408917	563103004	/nfs/dbraw/zinc/10/30/04/563103004.db2.gz	SFRHEWSBWYNWFB-SFTDATJTSA-N	1	3	499.593	2.762	1	5		JFBFHO
COC(=O)[C@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000028103045	563056136	/nfs/dbraw/zinc/05/61/36/563056136.db2.gz	OXBQOLKKTGIDKA-HKUYNNGSSA-N	1	3	499.593	2.884	1	5		JFBFHO
COC(=O)[C@H](Cc1cn(Sc2ccc([N+](=O)[O-])cc2)c2ccccc12)NC(=O)[C@H](N)CCCC[NH3+]	ZINC000029408922	563102970	/nfs/dbraw/zinc/10/29/70/563102970.db2.gz	SFRHEWSBWYNWFB-RTWAWAEBSA-N	1	3	499.593	2.762	1	5		JFBFHO
COC(=O)[C@@H](Cc1cn(Sc2ccc([N+](=O)[O-])cc2)c2ccccc12)NC(=O)[C@H](N)CCCC[NH3+]	ZINC000029408920	563103037	/nfs/dbraw/zinc/10/30/37/563103037.db2.gz	SFRHEWSBWYNWFB-NHCUHLMSSA-N	1	3	499.593	2.762	1	5		JFBFHO
COC(=O)[C@H](Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000013451236	562964703	/nfs/dbraw/zinc/96/47/03/562964703.db2.gz	QGTJIZCTYUGOEQ-OALUTQOASA-N	1	3	499.593	2.762	1	5		JFBFHO
COC(=O)[C@@H](Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12)NC(=O)[C@H](N)CCCC[NH3+]	ZINC000029394288	563102078	/nfs/dbraw/zinc/10/20/78/563102078.db2.gz	QGTJIZCTYUGOEQ-RTBURBONSA-N	1	3	499.593	2.762	1	5		JFBFHO