smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2CCN2CCOCC2)CC1	ZINC000514295966	1066204708	/nfs/dbraw/zinc/20/47/08/1066204708.db2.gz	DBKOPHYCCUJSHZ-UHFFFAOYSA-N	1	1	541.674	-0.074	20	30		KBEDMO
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2CCN2CCOCC2)CC1	ZINC000514298248	1066204762	/nfs/dbraw/zinc/20/47/62/1066204762.db2.gz	XZRMPNJLYOJVJD-UHFFFAOYSA-N	1	1	526.619	-0.183	20	30		KBEDMO
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2CCN2CCOCC2)CC1	ZINC000514381373	1066207320	/nfs/dbraw/zinc/20/73/20/1066207320.db2.gz	CEGCTWZTDHGOGP-UHFFFAOYSA-N	1	1	511.648	-0.082	20	30		KBEDMO
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2CCN2CCOCC2)CC1	ZINC000514381848	1066207394	/nfs/dbraw/zinc/20/73/94/1066207394.db2.gz	VCCRLLBUKHSYDO-UHFFFAOYSA-N	1	1	511.648	-0.082	20	30		KBEDMO