smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C(=O)[O-])[C@@H]1N[C@@H](C(=O)[O-])C(C)(C)S1	ZINC000015415787	560230276	/nfs/dbraw/zinc/23/02/76/560230276.db2.gz	JCHZLBSPYSDECZ-OFQRWUPVSA-N	-2	0	419.459	1.727	10	0	in-vitro	HDAERL
O=C([O-])CNC(=O)Oc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)ccc1O	ZINC000001550234	832324702	/nfs/dbraw/zinc/32/47/02/832324702.db2.gz	PJHBXFNXVPBOAI-UHFFFAOYSA-N	-2	0	403.299	1.455	10	0		HDAERL
O=C([O-])c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)[O-])CC4)cc31)CCC2	ZINC000005138325	557637889	/nfs/dbraw/zinc/63/78/89/557637889.db2.gz	TZAOOKJHQLWGSI-UHFFFAOYSA-N	-2	0	404.444	1.907	10	0		HDAERL
O=S(=O)([O-])c1cc(S(=O)(=O)c2ccc(F)c(S(=O)(=O)[O-])c2)ccc1F	ZINC000072194609	558931242	/nfs/dbraw/zinc/93/12/42/558931242.db2.gz	VCKVJRSJEVFWDJ-UHFFFAOYSA-N	-2	0	414.385	1.291	10	0		HDAERL
COc1cc2c(cc1OC)C(C[C@H]1CN(C(=O)C(=O)[O-])CC[C@H]1CC(=O)[O-])=NCC2	ZINC000077262224	291196015	/nfs/dbraw/zinc/19/60/15/291196015.db2.gz	CQEXDGATJQMOBV-JSGCOSHPSA-N	-2	0	418.446	1.463	10	0	biogenic	HDAERL
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)CCC(=O)[O-])CC3)cc21	ZINC000000538102	132228690	/nfs/dbraw/zinc/22/86/90/132228690.db2.gz	ONOFKJOCWGUUAT-UHFFFAOYSA-N	-2	0	419.409	1.372	10	0	in-man	HDAERL