smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(/C=C\c2ccccc2)ccc2ccccc12 ZINC000027197932 183252977 /nfs/dbraw/zinc/25/29/77/183252977.db2.gz SSGQQSMOTPMSLA-KHPPLWFESA-N -1 3 246.309 4.716 1 0 BJAFHM