smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C#N)c(=O)n(CCO)c([O-])c1N=Nc1nc(C(=O)[O-])n[nH]1 ZINC000239174279 379103508 /nfs/dbraw/zinc/10/35/08/379103508.db2.gz PRMPOQQYWWFBRZ-UHFFFAOYSA-N -2 1 333.264 -0.042 50 30 EBEAML