smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc(Cc2ccc3c(ccn3Cc3cccc(C(=O)[O-])c3)c2)c1	ZINC000095580513	211279139	/nfs/dbraw/zinc/27/91/39/211279139.db2.gz	LKIOHRBIZNQZHS-UHFFFAOYSA-N	-2	0	385.419	4.677	1	0		GJAFRL
CC(C)c1ccccc1Sc1c([O-])cc(-c2ccc(C(=O)[O-])cc2)oc1=O	ZINC000036124589	205006987	/nfs/dbraw/zinc/00/69/87/205006987.db2.gz	LEGUEXHJORLUKZ-UHFFFAOYSA-N	-2	0	382.437	4.985	1	0		GJAFRL
O=C([O-])C[C@@H]1c2ccc(OCc3c(Cl)cccc3Cl)cc2C=C1C(=O)[O-]	ZINC000027872994	210518676	/nfs/dbraw/zinc/51/86/76/210518676.db2.gz	AAWHXQDKRBHVTN-CYBMUJFWSA-N	-2	0	393.222	4.612	1	0		GJAFRL
O=C([O-])/C(=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c21)c1ccc(F)cc1	ZINC000013609207	210073071	/nfs/dbraw/zinc/07/30/71/210073071.db2.gz	OVJQMWSDPHLZBB-YRNVUSSQSA-N	-2	0	394.185	4.937	1	0		GJAFRL
O=C([O-])C[C@H]1c2ccc(OCc3c(Cl)cccc3Cl)cc2C=C1C(=O)[O-]	ZINC000027872987	204863240	/nfs/dbraw/zinc/86/32/40/204863240.db2.gz	AAWHXQDKRBHVTN-ZDUSSCGKSA-N	-2	0	393.222	4.612	1	0		GJAFRL
CC(C)c1ccccc1Sc1c([O-])cc(-c2cccc(C(=O)[O-])c2)oc1=O	ZINC000036124573	205007514	/nfs/dbraw/zinc/00/75/14/205007514.db2.gz	IXAMQLRUTWOTON-UHFFFAOYSA-N	-2	0	382.437	4.985	1	0		GJAFRL
CC(C)=CCC/C(C)=C\CC/C(C)=C/CO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013507240	560217631	/nfs/dbraw/zinc/21/76/31/560217631.db2.gz	VWFJDQUYCIWHTN-GNESMGCMSA-N	-3	0	382.330	4.632	1	0	in-vitro	GJAFRL
O=C([O-])/C(=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12)c1cccs1	ZINC000001890591	212259171	/nfs/dbraw/zinc/25/91/71/212259171.db2.gz	NDFGFTMXIPIQNG-SOFGYWHQSA-N	-2	0	382.224	4.860	1	0		GJAFRL
CCCC/C(=C\c1cnc(CCCC)n1Cc1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000013831928	221291915	/nfs/dbraw/zinc/29/19/15/221291915.db2.gz	MARKCDNHDLIMBS-QGOAFFKASA-N	-2	0	384.476	4.630	1	0		GJAFRL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])c1	ZINC000013589562	221275319	/nfs/dbraw/zinc/27/53/19/221275319.db2.gz	RNJSJPFDMYEHPI-UHFFFAOYSA-N	-2	0	387.482	4.531	1	0		GJAFRL
O=P([O-])([O-])C(F)(F)c1cccc(/C=C\c2ccc(Br)cc2)c1	ZINC000027093898	207322758	/nfs/dbraw/zinc/32/27/58/207322758.db2.gz	CSULKIUHKIQYTA-PLNGDYQASA-N	-2	0	389.132	4.847	1	0		GJAFRL
CC(C)=CCC/C(C)=C\CC/C(C)=C/COC[P@](=O)([O-])C[P@@](=O)([O-])O	ZINC000027657338	207329002	/nfs/dbraw/zinc/32/90/02/207329002.db2.gz	NQSFGDNIHNVCHW-KKYJLSSQSA-N	-2	0	394.385	4.785	1	0	in-vitro	GJAFRL
O=C([O-])c1ccc(C(=O)[O-])c2nc(/C=C/c3ccccc3Br)ccc12	ZINC000028957914	207352396	/nfs/dbraw/zinc/35/23/96/207352396.db2.gz	FNJQXLCBDYYWFG-AATRIKPKSA-N	-2	0	398.212	4.564	1	0		GJAFRL