smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@H]([NH3+])[C@H](Cl)C(=O)[O-] 59834036 717132051 /nfs/dbraw/zinc/13/20/51/717132051.db2.gz PCSUSCYKRIEPLL-WDSKDSINSA-O 1 1 195.670 -0.288 10 50 ABGEMO C[N+](C)(C)C[C@@H]([NH3+])[C@H](Cl)C(=O)[O-] 59834041 717132056 /nfs/dbraw/zinc/13/20/56/717132056.db2.gz PCSUSCYKRIEPLL-RITPCOANSA-O 1 1 195.670 -0.288 10 50 ABGEMO