smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC/C(=N\[O-])c1ccccc1OCc1ccc(Cl)cc1 ZINC000021016264 171289719 /nfs/dbraw/zinc/28/97/19/171289719.db2.gz VQJIDGFMLNMLBI-OBGWFSINSA-N -1 1 289.762 4.507 10 30 CJEEMM