smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1)c1cc(F)c(F)c(F)c1	ZINC000040943280	563159067	/nfs/dbraw/zinc/15/90/67/563159067.db2.gz	FBNBEJUXEOZPHF-UHFFFAOYSA-N	-2	3	496.410	4.123	1	10		JICFHL
CCc1c([O-])c2c(cc1C(=O)OC)C(=O)c1c(c([O-])cc3cc(C)c(Cl)c(OC)c31)C2=O	ZINC000028973487	563089884	/nfs/dbraw/zinc/08/98/84/563089884.db2.gz	NFJVYTZFJNVKBA-UHFFFAOYSA-N	-2	3	454.862	4.346	1	10	in-vivo	JICFHL
O=C([O-])c1cccc(COc2ccc3nc(SCC(=O)c4ccc([O-])c(O)c4)[nH]c3c2)c1	ZINC000013782383	562992538	/nfs/dbraw/zinc/99/25/38/562992538.db2.gz	WSMHUXDLXGUDEF-UHFFFAOYSA-N	-2	3	450.472	4.226	1	10		JICFHL
COc1cc([O-])c(C(=O)c2ccccc2)c([O-])c1-c1cc(O)c(=O)c2c([O-])c3cccc(O)c3oc1-2	ZINC000015251996	571737308	/nfs/dbraw/zinc/73/73/08/571737308.db2.gz	HPYVBXILLKDBSO-UHFFFAOYSA-N	-3	3	486.432	4.381	1	10	endogenous,in-man	JICFHL
CCOc1ccc2c(c1)[C@H](c1ccc(OC)cc1[O-])N(CC(=O)[O-])[C@@H]2c1ccc2c(c1)OCO2	ZINC000029467966	563104367	/nfs/dbraw/zinc/10/43/67/563104367.db2.gz	LDZGAMNZMSXJDP-FTJBHMTQSA-N	-2	3	463.486	4.107	1	10		JICFHL
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)c1cc(O)c([O-])c(O)c1	ZINC000043073791	563166508	/nfs/dbraw/zinc/16/65/08/563166508.db2.gz	BMTZVESLRWPUAI-UHFFFAOYSA-N	-2	3	469.302	4.163	1	10		JICFHL
CCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1[O-])N(CC(=O)[O-])[C@@H]2c1ccc2c(c1)OCO2	ZINC000029468454	563104343	/nfs/dbraw/zinc/10/43/43/563104343.db2.gz	LDZGAMNZMSXJDP-CLJLJLNGSA-N	-2	3	463.486	4.107	1	10		JICFHL
CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2)cc1	ZINC000043015477	563164539	/nfs/dbraw/zinc/16/45/39/563164539.db2.gz	OWNLZAUOVGUCBX-UHFFFAOYSA-N	-2	3	456.520	4.199	1	10		JICFHL