smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(/C=C2\CCC[NH+]=C2c2cccnc2)c(O)c1 ZINC000049807990 214034086 /nfs/dbraw/zinc/03/40/86/214034086.db2.gz LTIOVKFOJFTNGQ-GHRIWEEISA-N 1 2 335.451 4.300 1 10 EICFLO