smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000217030651 523757888 /nfs/dbraw/zinc/75/78/88/523757888.db2.gz XQTMOQBJRZWLCL-UHFFFAOYSA-N 1 3 361.505 2.886 40 70 FFIBHO