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)CCC[C@@H](Nc1c2ccccc2[nH+]c2ccccc21)C1CC1 ZINC000029564177 207992918 /nfs/dbraw/zinc/99/29/18/207992918.db2.gz OCMHNIZGOXAYRL-OAQYLSRUSA-N 2 0 361.533 5.701 1 10 FKCFRP