smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1oc2ccccc2c([O-])c1[O-] 29229114 171047988 /nfs/dbraw/zinc/04/79/88/171047988.db2.gz SCNUFWNKVSUNIP-UHFFFAOYSA-N -2 3 178.143 1.204 1 0 ADAFHL