smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS(=O)(=O)c1ccc([O-])c(NC=C2C(=O)[N-]C(=O)NC2=O)c1 ZINC000085594155 377397354 /nfs/dbraw/zinc/39/73/54/377397354.db2.gz VZQGJARRMRAPGT-UHFFFAOYSA-N -2 3 339.329 -0.152 50 10 EBCAHL