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)CCS(=O)(=O)CCS(=O)(=O)CC[N+](C)(C)C ZINC000004831679 210290679 /nfs/dbraw/zinc/29/06/79/210290679.db2.gz AYMDVQYYVPAZLO-UHFFFAOYSA-N 2 0 330.516 -0.772 50 5 EBBARP