smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)C1=C(O)C(C)(C)C(=O)C(CC2=C([O-])C(C(C)=O)=C(O)C(C)(C)C2=O)=C1[O-]	ZINC000103540111	560842897	/nfs/dbraw/zinc/84/28/97/560842897.db2.gz	IDNSKTMYRFNECX-UHFFFAOYSA-N	-2	2	418.442	3.411	40	30	biogenic,in-vitro	HGEBLL
CCC(O)=C1C(=O)C(C)(C)C(=O)C(CC2=C([O-])C(C(C)=O)=C(O)C(C)(C)C2=O)=C1[O-]	ZINC000103540111	560842899	/nfs/dbraw/zinc/84/28/99/560842899.db2.gz	IDNSKTMYRFNECX-UHFFFAOYSA-N	-2	2	418.442	3.411	40	30	biogenic,in-vitro	HGEBLL
Cc1c(C(=O)[O-])sc(N/N=C2/SC(=S)N(c3ccccc3)C2=O)c1C(=O)[O-]	ZINC000096305866	559109047	/nfs/dbraw/zinc/10/90/47/559109047.db2.gz	MTGKCPFQGZJZQR-LDADJPATSA-N	-2	2	421.481	3.243	40	30		HGEBLL