smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])CC[C@]32[C@H](C)CC1	ZINC000103524974	291194533	/nfs/dbraw/zinc/19/45/33/291194533.db2.gz	CHXZMLWVWKMBFD-RBJFXJGXSA-N	1	3	415.582	1.993	1	0	biogenic,in-vitro	HDAFHO
Cc1c(Cl)nc(NC2CCC([NH3+])CC2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028387049	581093158	/nfs/dbraw/zinc/09/31/58/581093158.db2.gz	VJLJPYQUWKGXTP-UHFFFAOYSA-N	1	3	418.929	1.984	1	0		HDAFHO
Cc1c(Cl)nc(NC[C@@H]2CCC[NH2+]C2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028368125	581093094	/nfs/dbraw/zinc/09/30/94/581093094.db2.gz	ULCSVJKUVFEWLW-OAHLLOKOSA-N	1	3	418.929	1.714	1	0		HDAFHO
Cc1c(Cl)nc(NCC2CC[NH2+]CC2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028379467	581093186	/nfs/dbraw/zinc/09/31/86/581093186.db2.gz	UPTLBLRIQLXTMC-UHFFFAOYSA-N	1	3	418.929	1.714	1	0		HDAFHO
[NH3+]CCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1	ZINC000034839922	341977384	/nfs/dbraw/zinc/97/73/84/341977384.db2.gz	KUWDNGVTUHQSDP-UHFFFAOYSA-N	1	3	424.534	1.442	1	0		HDAFHO
Cc1c(Cl)nc(NC[C@H]2CCC[NH2+]C2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028368132	581093008	/nfs/dbraw/zinc/09/30/08/581093008.db2.gz	ULCSVJKUVFEWLW-HNNXBMFYSA-N	1	3	418.929	1.714	1	0		HDAFHO