smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH+]c3ccccc3c(NCCNC[C@@H](O)CO)c2c1 ZINC000004428780 210192177 /nfs/dbraw/zinc/19/21/77/210192177.db2.gz GKTPLLTYQYJTJK-CYBMUJFWSA-N 1 3 341.411 1.751 40 10 EDCBHO