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)CC[N@@H+]1C[C@H]2CC[C@H]2C1 1694699 342959693 /nfs/dbraw/zinc/95/96/93/342959693.db2.gz ACRTVKJCDLGDPJ-PHIMTYICSA-N 2 1 183.319 1.034 40 5 ADBBMP