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-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000000858216	570710021	/nfs/dbraw/zinc/71/00/21/570710021.db2.gz	ZRTPNGVQUXDDAE-UHFFFAOYSA-N	-2	0	396.251	4.646	50	0		GJAARL
O=C([O-])c1ccc(OCCCCCCCCOc2ccc(C(=O)[O-])cc2)cc1	ZINC000071621654	211052335	/nfs/dbraw/zinc/05/23/35/211052335.db2.gz	GYWGAJIWZHWZLW-UHFFFAOYSA-N	-2	0	386.444	4.881	50	0		GJAARL
O=C([O-])/C(=C\c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c21)c1ccccc1	ZINC000003809663	209453696	/nfs/dbraw/zinc/45/36/96/209453696.db2.gz	LPWVUDLZUVBQGP-FLIBITNWSA-N	-2	0	376.195	4.798	50	0	in-vitro	GJAARL
CC(C)[C@@H]1Nc2c(C(=O)[O-])cccc2[C@H](Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000002484209	209366612	/nfs/dbraw/zinc/36/66/12/209366612.db2.gz	LAONMPGUGGBWNR-OALUTQOASA-N	-2	0	382.460	4.713	50	0		GJAARL
O=[P@]([O-])(CCCC[P@](=O)([O-])CCc1ccccc1)CCc1ccccc1	ZINC000002309914	203937414	/nfs/dbraw/zinc/93/74/14/203937414.db2.gz	DLIRIJIABLOPEE-UHFFFAOYSA-N	-2	0	394.388	4.793	50	0		GJAARL
O=C([O-])c1ccccc1Sc1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000252478748	570727858	/nfs/dbraw/zinc/72/78/58/570727858.db2.gz	AUOGABMFGJNXGG-UHFFFAOYSA-N	-2	0	389.432	4.546	50	0		GJAARL
Cc1cc(Cl)ccc1NC(=O)c1cc2ccccc2cc1OP(=O)([O-])[O-]	ZINC000001841138	209341064	/nfs/dbraw/zinc/34/10/64/209341064.db2.gz	SHTFMUPUBYXPCD-UHFFFAOYSA-N	-2	0	391.747	4.525	50	0	in-vitro	GJAARL
O=S(=O)(c1cc(Cl)c([O-])c(Cl)c1)c1cc(Cl)c([O-])c(Cl)c1	ZINC000001100714	209299981	/nfs/dbraw/zinc/29/99/81/209299981.db2.gz	YYDJTJGFHTVGGF-UHFFFAOYSA-N	-2	0	388.055	4.544	50	0		GJAARL
O=C([O-])c1ccccc1-c1ccc(-c2cc(C(=O)[O-])c3cc(F)ccc3n2)o1	ZINC000002709850	203957181	/nfs/dbraw/zinc/95/71/81/203957181.db2.gz	ZNIZZMLGYNTZGD-UHFFFAOYSA-N	-2	0	377.327	4.697	50	0		GJAARL
CC(C)[C@@H]1Nc2c(C(=O)[O-])cccc2[C@@H](Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000002484212	209366597	/nfs/dbraw/zinc/36/65/97/209366597.db2.gz	LAONMPGUGGBWNR-RBUKOAKNSA-N	-2	0	382.460	4.713	50	0		GJAARL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000012494625	570674788	/nfs/dbraw/zinc/67/47/88/570674788.db2.gz	VWFJDQUYCIWHTN-YFVJMOTDSA-N	-3	0	382.330	4.632	50	0	endogenous,in-man	GJAARL
O=C([O-])Cc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(Cl)cc1	ZINC000004706701	570729143	/nfs/dbraw/zinc/72/91/43/570729143.db2.gz	FAVRVMWVQWVOGP-UHFFFAOYSA-N	-2	0	388.832	4.532	50	0		GJAARL
CC(C)[C@H]1Nc2c(C(=O)[O-])cccc2[C@@H](Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000002484214	570288301	/nfs/dbraw/zinc/28/83/01/570288301.db2.gz	LAONMPGUGGBWNR-RTBURBONSA-N	-2	0	382.460	4.713	50	0		GJAARL
O=C([O-])c1cccc2cccc(S(=O)c3cccc4cccc(C(=O)[O-])c43)c21	ZINC000004367424	570371483	/nfs/dbraw/zinc/37/14/83/570371483.db2.gz	CAEQCGNIMIYYQX-UHFFFAOYSA-N	-2	0	390.416	4.556	50	0		GJAARL
Cc1ccc(C(=O)[O-])cc1Nc1c(C(=O)[O-])cnc2c(Cl)cc(Cl)cc21	ZINC000005510881	570621916	/nfs/dbraw/zinc/62/19/16/570621916.db2.gz	QZJICBJGCNADEH-UHFFFAOYSA-N	-2	0	391.210	4.990	50	0		GJAARL
CC(C)[C@H]1Nc2c(C(=O)[O-])cccc2[C@H](Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000002484211	570288337	/nfs/dbraw/zinc/28/83/37/570288337.db2.gz	LAONMPGUGGBWNR-MOPGFXCFSA-N	-2	0	382.460	4.713	50	0		GJAARL
O=c1cc(-c2ccc(-c3cc(=O)n(-c4ccccc4)[n-]3)cc2)[n-]n1-c1ccccc1	ZINC000100074619	208371003	/nfs/dbraw/zinc/37/10/03/208371003.db2.gz	OIRLHUXWMXHFRF-UHFFFAOYSA-N	-2	0	394.434	4.803	50	0		GJAARL