smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)c1ccc(Nc2cc(C)[nH+]c3ccc4[nH]cnc4c23)cc1 ZINC000052753760 214143089 /nfs/dbraw/zinc/14/30/89/214143089.db2.gz LFPZHPXCTUUVQK-UHFFFAOYSA-N 2 2 345.450 5.009 1 0 EKAFLP