smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000035147322	555907184	/nfs/dbraw/zinc/90/71/84/555907184.db2.gz	IDFKSAPYOGZHOE-RUZDIDTESA-N	-1	2	437.499	5.396	40	0		IKABLM
N=C1SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(O)=C1c1nccs1	ZINC000137133579	556723085	/nfs/dbraw/zinc/72/30/85/556723085.db2.gz	JJVBZXDIBGVIOW-PDLCMLHASA-N	-1	2	430.894	5.173	40	0		IKABLM
O=C([O-])C(=Cc1cc(Cl)cc(Cl)c1O)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408632039	556003933	/nfs/dbraw/zinc/00/39/33/556003933.db2.gz	CTJQHXLIWHQKBR-MLPAPPSSSA-N	-1	2	442.711	5.355	40	0		IKABLM
O=C(C=C([O-])c1ccc(-c2ccc(C(O)=CC(=O)c3ccccc3)cc2)cc1)c1ccccc1	ZINC000104142837	557321366	/nfs/dbraw/zinc/32/13/66/557321366.db2.gz	CKVCCVWLSUKOIG-UHFFFAOYSA-N	-1	2	446.502	6.265	40	0		IKABLM
CCc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000035147324	555907465	/nfs/dbraw/zinc/90/74/65/555907465.db2.gz	IDFKSAPYOGZHOE-VWLOTQADSA-N	-1	2	437.499	5.396	40	0		IKABLM