smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(CC(=O)[O-])C(=O)c1cc(I)cc(I)c1O ZINC000038019983 521558568 /nfs/dbraw/zinc/55/85/68/521558568.db2.gz BUFWWOVQBVZMLO-UHFFFAOYSA-N -1 2 489.047 2.538 10 0 JFAELM