smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@H](c1ccncc1)c1c(O)cc(=O)c2c(O)cc(-c3ccccc3)oc1-2)N1CCCCC1 ZINC000253412147 570097832 /nfs/dbraw/zinc/09/78/32/570097832.db2.gz QAKFOYBAZVMBIM-FQEVSTJZSA-N -2 2 470.525 4.801 50 0 JJAALL O=C(C[C@H](c1ccncc1)c1c(O)cc(=O)c2c(O)cc(-c3ccccc3)oc1-2)N1CCCCC1 ZINC000253412148 570097858 /nfs/dbraw/zinc/09/78/58/570097858.db2.gz QAKFOYBAZVMBIM-HXUWFJFHSA-N -2 2 470.525 4.801 50 0 JJAALL