smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792960865 1078036487 /nfs/dbraw/zinc/03/64/87/1078036487.db2.gz QXSSWCVLDTUGKE-UHFFFAOYSA-N 1 3 400.489 2.804 20 10 HFCDHO