smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC=CC=C[P@H](=O)C=CC 28092649 166141193 /nfs/dbraw/zinc/14/11/93/166141193.db2.gz FQCBFCKBIMOEJL-JIDSLHQUSA-N 0 1 168.176 3.336 1 0 AGAFMN