smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2c3ccccc3[nH+]c3ccccc32)CC1 ZINC000006646126 368569237 /nfs/dbraw/zinc/56/92/37/368569237.db2.gz XHTLDEKMWBOVSQ-UHFFFAOYSA-N 1 3 277.371 3.140 50 10 CGCAHO