smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H](CCl)c1ccc(Cl)s1 259334705 573125934 /nfs/dbraw/zinc/12/59/34/573125934.db2.gz LHTZEHOCRMKUSC-SCSAIBSYSA-N 1 0 196.102 2.640 10 50 AFGERO