smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNC1=[NH+]CCN1)c1cnn(C2=[NH+]CCN2)c1C	ZINC000005760343	170137852	/nfs/dbraw/zinc/13/78/52/170137852.db2.gz	NMNWUCXVWMULRA-QGMBQPNBSA-N	2	1	274.332	-0.728	40	30		CBEBMP
CC(=NNC1=[NH+]CCN1)c1cn(C2=[NH+]CCN2)nc1C	ZINC000031794254	351377957	/nfs/dbraw/zinc/37/79/57/351377957.db2.gz	LSORHLXYJIRUAX-CAOOACKPSA-N	2	1	274.332	-0.728	40	30	in-vitro	CBEBMP
CC(C=NNC1=[NH+]CCCN1)=N[NH+]=C1NCCCN1	ZINC000104309877	351790341	/nfs/dbraw/zinc/79/03/41/351790341.db2.gz	ULHBLNLYPOIXDV-VAQFQWRASA-N	2	1	264.337	-0.774	40	30		CBEBMP
CC(C=NNC1=[NH+]CCCN1)=N[NH+]=C1NCCCN1	ZINC000008665445	170344723	/nfs/dbraw/zinc/34/47/23/170344723.db2.gz	ULHBLNLYPOIXDV-WIBPKFNESA-N	2	1	264.337	-0.774	40	30		CBEBMP
CC(=NNC1=[NH+]CCN1)c1cn(C2=[NH+]CCN2)nc1C	ZINC000013099555	351335070	/nfs/dbraw/zinc/33/50/70/351335070.db2.gz	LSORHLXYJIRUAX-IUXPMGMMSA-N	2	1	274.332	-0.728	40	30	in-vitro	CBEBMP
CC(C=NNC1=[NH+]CCCN1)=N[NH+]=C1NCCCN1	ZINC000104309882	351790285	/nfs/dbraw/zinc/79/02/85/351790285.db2.gz	ULHBLNLYPOIXDV-JCDHFMOQSA-N	2	1	264.337	-0.774	40	30		CBEBMP
CC(C=NNC1=[NH+]CCCN1)=N[NH+]=C1NCCCN1	ZINC000018154524	351347658	/nfs/dbraw/zinc/34/76/58/351347658.db2.gz	ULHBLNLYPOIXDV-GONBZBRSSA-N	2	1	264.337	-0.774	40	30		CBEBMP
CC(=NNC1=[NH+]CCN1)c1cnn(C2=[NH+]CCN2)c1C	ZINC000017175296	351346820	/nfs/dbraw/zinc/34/68/20/351346820.db2.gz	NMNWUCXVWMULRA-LSCVHKIXSA-N	2	1	274.332	-0.728	40	30		CBEBMP