smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+]1(C)CCC(OC(=O)[C@@H](c2noc3ccccc32)N2CCCCCC2)CC1	ZINC000004212118	717097397	/nfs/dbraw/zinc/09/73/97/717097397.db2.gz	CNTJFDRCJSXDAU-LEVHZFOFSA-N	1	0	400.543	3.917	10	5	in-man	HHBERO
COC1(c2nc(-c3ccccn3)no2)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000583615850	560776279	/nfs/dbraw/zinc/77/62/79/560776279.db2.gz	DCWUZKWZVNXFOO-OAHLLOKOSA-N	1	0	409.446	3.739	10	5		HHBERO
COC1(c2nc(-c3ccccn3)no2)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000583615849	560776339	/nfs/dbraw/zinc/77/63/39/560776339.db2.gz	DCWUZKWZVNXFOO-HNNXBMFYSA-N	1	0	409.446	3.739	10	5		HHBERO
CC[N+]1(C)CCC(OC(=O)[C@H](c2noc3ccccc32)N2CCCCCC2)CC1	ZINC000005688398	717100897	/nfs/dbraw/zinc/10/08/97/717100897.db2.gz	CNTJFDRCJSXDAU-ZRTADFRUSA-N	1	0	400.543	3.917	10	5	in-man	HHBERO
CC(C)(C)C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)nc1	ZINC000034681845	568733600	/nfs/dbraw/zinc/73/36/00/568733600.db2.gz	XKHCBARNWMZBCQ-UHFFFAOYSA-N	1	0	411.506	3.687	10	5		HHBERO