smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)cc1 ZINC000043815915 563121399 /nfs/dbraw/zinc/12/13/99/563121399.db2.gz XMPMFKKAHKTXFM-UHFFFAOYSA-N 2 0 431.537 3.096 1 70 IGIFRP