smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=[NH2+])N[C@H](CCCC(=O)C=C(O)CCc1cc(C[NH2+]C)c(O)c(OC)c1)CCn1cc[nH+]c1	ZINC000085627031	560069002	/nfs/dbraw/zinc/06/90/02/560069002.db2.gz	WGXZDGALSFWNKW-HXUWFJFHSA-O	3	2	487.625	1.570	1	10	biogenic,in-vitro	JDCFLP
CNC(=[NH2+])N[C@H](CCCC(O)=CC(=O)CCc1cc(C[NH2+]C)c(O)c(OC)c1)CCn1cc[nH+]c1	ZINC000085627031	560069004	/nfs/dbraw/zinc/06/90/04/560069004.db2.gz	WGXZDGALSFWNKW-HXUWFJFHSA-O	3	2	487.625	1.570	1	10	biogenic,in-vitro	JDCFLP
CN(CC[NH+](C)C)C(=O)c1cc2c(s1)C(=O)c1sc(C(=O)N(C)CC[NH+](C)C)cc1C2=O	ZINC000028893907	563085499	/nfs/dbraw/zinc/08/54/99/563085499.db2.gz	JVKIJNPQGMRVBS-UHFFFAOYSA-N	2	2	476.624	1.852	1	10		JDCFLP