smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1Oc1cc(C(=O)[O-])c(C(=O)[O-])cc1Oc1ccccc1C	ZINC000005711974	570452214	/nfs/dbraw/zinc/45/22/14/570452214.db2.gz	ANTPATJASNSOLQ-UHFFFAOYSA-N	-2	0	378.380	5.284	50	0		GKAARL
O=C([O-])c1ccccc1-c1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)o1	ZINC000002882063	209395903	/nfs/dbraw/zinc/39/59/03/209395903.db2.gz	MQOXUDREGVJRPV-UHFFFAOYSA-N	-2	0	393.782	5.212	50	0		GKAARL
O=c1c(-c2ccccc2)n[n-]c([O-])c1Sc1cc(Cl)c(Cl)cc1Cl	ZINC000005409294	220866528	/nfs/dbraw/zinc/86/65/28/220866528.db2.gz	NJPFLFXTFOIZBJ-UHFFFAOYSA-N	-2	0	399.686	5.254	50	0		GKAARL
O=C([O-])CCCCCC(=O)CCCCCCCCC(=O)CCCCCC(=O)[O-]	ZINC000004822915	570270794	/nfs/dbraw/zinc/27/07/94/570270794.db2.gz	UXMWWFJVGTWHIZ-UHFFFAOYSA-N	-2	0	398.540	5.316	50	0		GKAARL
Cc1occc1C([O-])=C1C(C(C)(C)C)=CSC1=Nc1ccc(C(=O)[O-])cc1	ZINC000006921386	570482613	/nfs/dbraw/zinc/48/26/13/570482613.db2.gz	GHXSVYMMHHSQBJ-LLWUOSFCSA-N	-2	0	383.469	5.492	50	0		GKAARL
O=C([O-])c1ccc(-c2ccc(Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)o2)cc1	ZINC000032616903	207398883	/nfs/dbraw/zinc/39/88/83/207398883.db2.gz	TULFFKWKGGYWLI-UHFFFAOYSA-N	-2	0	388.375	5.194	50	0		GKAARL
Cc1occc1C([O-])=C1C(C(C)(C)C)=CSC1=Nc1ccc(C(=O)[O-])cc1	ZINC000095851251	570541197	/nfs/dbraw/zinc/54/11/97/570541197.db2.gz	GHXSVYMMHHSQBJ-UBZKEQBWSA-N	-2	0	383.469	5.492	50	0		GKAARL
CCCCCN(CCCCC)c1ccc(C(=O)c2ccccc2C(=O)[O-])c([O-])c1	ZINC000002288995	570648503	/nfs/dbraw/zinc/64/85/03/570648503.db2.gz	FHHJEXZQGLHKOT-UHFFFAOYSA-N	-2	0	397.515	5.508	50	0		GKAARL
O=C([O-])c1cc(Cl)cc(Cl)c1-c1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC000004367431	570371490	/nfs/dbraw/zinc/37/14/90/570371490.db2.gz	FIUIHIPSDDZKQA-UHFFFAOYSA-N	-2	0	380.010	5.364	50	0		GKAARL
O=C([O-])c1cc(C2CC2)ccc1-c1ccc(-c2ccc(C3CC3)cc2C(=O)[O-])cc1	ZINC000004728577	570883757	/nfs/dbraw/zinc/88/37/57/570883757.db2.gz	CKIZACYKJQIGRE-UHFFFAOYSA-N	-2	0	398.458	6.172	50	0		GKAARL