smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c([O-])c2c(O)c3c(oc-2c(CC=C(C)C)c1=O)-c1cc(O)c([O-])cc1O[C@@H]3C=C(C)C	ZINC000049088142	554322962	/nfs/dbraw/zinc/32/29/62/554322962.db2.gz	MOPJKKUUKHCZPG-HSZRJFAPSA-N	-2	3	504.579	6.700	10	10	biogenic	KKCEHL
Nc1ccc2cc(S(=O)(=O)[O-])c([N-][NH+]=C3C=CC4=CC(S(=O)(=O)[O-])=C(N=Nc5ccc(N=Nc6ccc(N)c7cc(S(=O)(=O)[O-])ccc67)cc5)C(=O)C4=C3)c([O-])c2c1	ZINC000232321405	572187802	/nfs/dbraw/zinc/18/78/02/572187802.db2.gz	XOJQUIDDFVRDCO-IUHJAEDGSA-N	-4	3	842.850	8.708	10	10		KKCEHL
CC(C)=CCc1c([O-])c2c(O)c3c(oc-2c(CC=C(C)C)c1=O)-c1cc(O)c([O-])cc1O[C@H]3C=C(C)C	ZINC000049088143	554322918	/nfs/dbraw/zinc/32/29/18/554322918.db2.gz	MOPJKKUUKHCZPG-QHCPKHFHSA-N	-2	3	504.579	6.700	10	10	biogenic	KKCEHL