smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c(CN2CCN(c3ccccc3)CC2)coc([O-])c1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000218246438 569883163 /nfs/dbraw/zinc/88/31/63/569883163.db2.gz XSWMFZYYAJFVHU-UHFFFAOYSA-N -1 3 490.486 2.294 50 70 JEIAHM