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(=N)NC(=[NH2+])N1c1ccc(CCCCOc2ccc(S(=O)(=O)F)cc2)cc1 ZINC000043860925 563121338 /nfs/dbraw/zinc/12/13/38/563121338.db2.gz ZYSBVCPWGCFOTF-UHFFFAOYSA-N 1 3 447.536 2.932 40 70 IFIBHO