smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CN1CC(=O)[O+]=N1 ZINC000019744427 556890794 /nfs/dbraw/zinc/89/07/94/556890794.db2.gz UAKKTUQOWISFQC-UHFFFAOYSA-O 1 3 427.447 2.100 50 30 IEEAHO