smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H]1CCOC[C@H]1OCCN(C)C ZINC000218710259 188008345 /nfs/dbraw/zinc/00/83/45/188008345.db2.gz HPJZKOIHBCXZOT-GHMZBOCLSA-N 0 3 230.308 -0.142 50 70 BBIAHN