smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C(=O)C=C(O)c1ccccc1 100763665 171145447 /nfs/dbraw/zinc/14/54/47/171145447.db2.gz QXZSEJLYYQDPRN-VURMDHGXSA-N -1 2 192.170 1.239 1 30 ADEFLM