smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000539508587 333675061 /nfs/dbraw/zinc/67/50/61/333675061.db2.gz QQMFUGMJLBIAHA-JKSUJKDBSA-N 2 1 297.446 4.576 20 30 CJEDMP