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(OC1C[C@H]2CC[C@@H](C1)[N+]21CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000033868061 717122512 /nfs/dbraw/zinc/12/25/12/717122512.db2.gz LMFIKEWWBUTILH-VSGJHWFKSA-N 1 0 406.546 4.160 10 5 HIBERO