smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccccc2c(Cc2ccc(-c3ccc(C(=O)[O-])cc3)cc2)c1C(=O)[O-]	ZINC000002003398	209343526	/nfs/dbraw/zinc/34/35/26/209343526.db2.gz	CJWJTZOASDCUEV-UHFFFAOYSA-N	-2	0	385.419	4.833	10	0		GJAERL
CC(C)(CCCOc1ccc(SCCCC(C)(C)C(=O)[O-])cc1)C(=O)[O-]	ZINC000025977248	210487289	/nfs/dbraw/zinc/48/72/89/210487289.db2.gz	LJECPQKVJLSBTK-UHFFFAOYSA-N	-2	0	382.522	4.940	10	0		GJAERL
CC(C)=CCC/C(C)=C/CC/C(C)=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013507238	560217637	/nfs/dbraw/zinc/21/76/37/560217637.db2.gz	VWFJDQUYCIWHTN-PVMFERMNSA-N	-3	0	382.330	4.632	10	0	in-vitro	GJAERL
O=C([O-])c1[nH]c(C(=O)[O-])c(-c2c[nH]c3ccccc32)c1-c1c[nH]c2ccccc21	ZINC000013387711	209235237	/nfs/dbraw/zinc/23/52/37/209235237.db2.gz	FZDVNXHYGMEEDT-UHFFFAOYSA-N	-2	0	385.379	4.708	10	0	in-vivo	GJAERL
CC(C)CCC[C@H](C)CCC[C@@H](C)CCO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000031977015	207389159	/nfs/dbraw/zinc/38/91/59/207389159.db2.gz	QLJFEPYMTKDKMH-LSDHHAIUSA-N	-3	0	388.378	4.872	10	0	in-vitro	GJAERL
CC(C)=CCC/C(C)=C\CC/C(C)=C\CO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013507236	560217618	/nfs/dbraw/zinc/21/76/18/560217618.db2.gz	VWFJDQUYCIWHTN-FBXUGWQNSA-N	-3	0	382.330	4.632	10	0	in-vitro	GJAERL
O=C([O-])c1ccc(C(=O)[O-])c2nc(/C=C/c3cccc(Br)c3)ccc12	ZINC000028712999	212157551	/nfs/dbraw/zinc/15/75/51/212157551.db2.gz	RZMSRIDFVLSIFD-SNAWJCMRSA-N	-2	0	398.212	4.564	10	0		GJAERL
Cc1cc(C(=O)[O-])c2cc(Oc3ccc4nc(C)cc(C(=O)[O-])c4c3)ccc2n1	ZINC000003177013	570331667	/nfs/dbraw/zinc/33/16/67/570331667.db2.gz	ZLPCKLDKJLIOLI-UHFFFAOYSA-N	-2	0	388.379	4.589	10	0		GJAERL