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]1[NH2+][C@@H](C(=O)[O-])C(C)(C)S1	ZINC000015415787	560230280	/nfs/dbraw/zinc/23/02/80/560230280.db2.gz	JCHZLBSPYSDECZ-OFQRWUPVSA-N	-1	2	419.459	1.727	10	0	in-vitro	HDAELM
O=C([O-])CNC(=O)Oc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O	ZINC000001550234	832324707	/nfs/dbraw/zinc/32/47/07/832324707.db2.gz	PJHBXFNXVPBOAI-UHFFFAOYSA-N	-1	2	403.299	1.455	10	0		HDAELM
COc1cc2c(cc1OC)C(C[C@H]1CN(C(=O)C(=O)[O-])CC[C@H]1CC(=O)[O-])=[NH+]CC2	ZINC000077262224	291196022	/nfs/dbraw/zinc/19/60/22/291196022.db2.gz	CQEXDGATJQMOBV-JSGCOSHPSA-N	-1	2	418.446	1.463	10	0	biogenic	HDAELM
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)CCC(=O)[O-])CC3)cc21	ZINC000000538102	132228693	/nfs/dbraw/zinc/22/86/93/132228693.db2.gz	ONOFKJOCWGUUAT-UHFFFAOYSA-N	-1	2	419.409	1.372	10	0	in-man	HDAELM