smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCC(=O)N([O-])CCCCNC(=O)CCC(=O)N([O-])CCCCN1	ZINC000013310154	560214089	/nfs/dbraw/zinc/21/40/89/560214089.db2.gz	ONQBBCUWASUJGE-UHFFFAOYSA-N	-2	3	372.422	-0.211	1	30	in-vitro	FBEFHL
C[S@@](=O)CC[C@@H](N=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000031970648	291024247	/nfs/dbraw/zinc/02/42/47/291024247.db2.gz	KRWNKOCPQBHMPM-BNRDFFFMSA-N	-3	3	358.372	-0.380	1	30	biogenic,in-vitro	FBEFHL
C[S@](=O)CC[C@@H](N=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000031970650	291024180	/nfs/dbraw/zinc/02/41/80/291024180.db2.gz	KRWNKOCPQBHMPM-DALGHTFUSA-N	-3	3	358.372	-0.380	1	30	biogenic,in-vitro	FBEFHL