smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc(C2=C(O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)SC2=N)s1	ZINC000138094236	569262617	/nfs/dbraw/zinc/26/26/17/569262617.db2.gz	OLCSOAQQIVJOCG-JAVZXRLNSA-N	-1	2	425.491	4.477	40	30		IIEBLM
O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(O)c(Cl)c2)C2=C1CCCC2=O	ZINC000409034802	556928221	/nfs/dbraw/zinc/92/82/21/556928221.db2.gz	OEKBDMPGKKGYKI-UHFFFAOYSA-N	-1	2	436.291	4.197	40	30		IIEBLM
CCc1nnc(C2=C(O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)SC2=N)s1	ZINC000107643670	569262278	/nfs/dbraw/zinc/26/22/78/569262278.db2.gz	OLCSOAQQIVJOCG-YJRZJZHCSA-N	-1	2	425.491	4.477	40	30		IIEBLM
CCCC(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(C(=O)CCC)=C([O-])C(C)(C)C2=O)c1O	ZINC000100055395	557238854	/nfs/dbraw/zinc/23/88/54/557238854.db2.gz	HNAIAJNEQWTLNE-UHFFFAOYSA-N	-1	2	446.496	4.239	40	30	biogenic,in-vitro	IIEBLM
CCCC(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(C)(C)C(=O)C(C(=O)CCC)=C2[O-])c1O	ZINC000100055395	557238860	/nfs/dbraw/zinc/23/88/60/557238860.db2.gz	HNAIAJNEQWTLNE-UHFFFAOYSA-N	-1	2	446.496	4.239	40	30	biogenic,in-vitro	IIEBLM
CCCC(=O)c1c(O)c(C)c(O)c(CC2C(=O)C(=C([O-])CCC)C(=O)C(C)(C)C2=O)c1O	ZINC000100055395	557238863	/nfs/dbraw/zinc/23/88/63/557238863.db2.gz	HNAIAJNEQWTLNE-UHFFFAOYSA-N	-1	2	446.496	4.239	40	30	biogenic,in-vitro	IIEBLM
CCc1nnc(C2=C(O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)SC2=N)s1	ZINC000107752383	569262386	/nfs/dbraw/zinc/26/23/86/569262386.db2.gz	HCFIHWRPVWVWTK-YJRZJZHCSA-N	-1	2	425.491	4.477	40	30		IIEBLM