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-])Nc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000740712057 574965796 /nfs/dbraw/zinc/96/57/96/574965796.db2.gz KKUCREZCNHLUPA-UHFFFAOYSA-N -2 2 297.274 2.300 20 0 CEADLL CSc1n[nH]c(NC(=O)c2ccc(Cl)cc2O)n1 ZINC000436791290 395153502 /nfs/dbraw/zinc/15/35/02/395153502.db2.gz JHOLVFSCEZSGEA-UHFFFAOYSA-N -2 2 284.728 2.138 20 0 CEADLL