smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCN1C(=O)NC(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	ZINC000009160514	569508628	/nfs/dbraw/zinc/50/86/28/569508628.db2.gz	WEFPTIWRHLLHHU-KHPPLWFESA-N	0	1	446.468	-0.570	50	10		IBCAMN
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCN2CCOCC2)N2CCN(C)CC2)cc1	ZINC000022809491	522247633	/nfs/dbraw/zinc/24/76/33/522247633.db2.gz	LBAOOPRSSNWNOI-NRFANRHFSA-N	0	1	446.596	-0.394	50	10		IBCAMN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCN2CCOCC2)N2CCN(C)CC2)cc1	ZINC000022809498	522241549	/nfs/dbraw/zinc/24/15/49/522241549.db2.gz	LBAOOPRSSNWNOI-OAQYLSRUSA-N	0	1	446.596	-0.394	50	10		IBCAMN
COc1c(O)c(CN2CCCCC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079190948	563172856	/nfs/dbraw/zinc/17/28/56/563172856.db2.gz	PXKRADMBKLYNQM-DGOWFPMBSA-N	0	1	425.434	-0.215	50	10	biogenic	IBCAMN