smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(=O)c2cc(Cl)cc(Cl)c2nc1SCC(=O)[O-] ZINC000004294401 471462914 /nfs/dbraw/zinc/46/29/14/471462914.db2.gz OJBUMMTWKBIDFB-UHFFFAOYSA-N -1 0 333.196 2.900 30 0 EFACRM CC(C)(C)OC(=O)c1nn(-c2ccc(Br)cc2)c(=O)[n-]1 ZINC000036533605 213099035 /nfs/dbraw/zinc/09/90/35/213099035.db2.gz WOWOFVOEDBANFI-UHFFFAOYSA-N -1 0 340.177 2.691 30 0 EFACRM Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)[n-]c2=O)cc1 ZINC000015444130 471905310 /nfs/dbraw/zinc/90/53/10/471905310.db2.gz DFHFRKCXYUANMP-UHFFFAOYSA-N -1 0 328.759 2.775 30 0 EFACRM O=C(c1nn(-c2cccc(Br)c2)c(=O)[n-]1)c1ccccc1 ZINC000015444183 471905515 /nfs/dbraw/zinc/90/55/15/471905515.db2.gz BHQHNTCNJNBBRZ-UHFFFAOYSA-N -1 0 344.168 2.554 30 0 EFACRM O=C(OCc1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000015444285 471906042 /nfs/dbraw/zinc/90/60/42/471906042.db2.gz GGUMCTPMXGCNPC-UHFFFAOYSA-N -1 0 329.743 2.571 30 0 EFACRM CCOC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000015444175 471905382 /nfs/dbraw/zinc/90/53/82/471905382.db2.gz BQWXMKROKZVEGC-UHFFFAOYSA-N -1 0 325.324 2.530 30 0 EFACRM O=C(OCc1ccccc1)c1nn(-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000015444289 471905834 /nfs/dbraw/zinc/90/58/34/471905834.db2.gz IENYRCOZZKSLNP-UHFFFAOYSA-N -1 0 329.743 2.571 30 0 EFACRM CC(C)OC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1 ZINC000015444162 211825650 /nfs/dbraw/zinc/82/56/50/211825650.db2.gz FGOOMFFLWIDLKQ-UHFFFAOYSA-N -1 0 339.351 2.918 30 0 EFACRM CCOC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=O)[n-]1 ZINC000015444163 471906021 /nfs/dbraw/zinc/90/60/21/471906021.db2.gz IICAFYOYSZXMOI-UHFFFAOYSA-N -1 0 336.562 2.698 30 0 EFACRM Cc1ccc2nc(SCC(=O)[O-])n(-c3ccccc3)c(=O)c2c1 ZINC000004294407 210162253 /nfs/dbraw/zinc/16/22/53/210162253.db2.gz IVFWXZXYUWNGCS-UHFFFAOYSA-N -1 0 326.377 2.871 30 0 EFACRM