smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1CCNC(N)=[NH2+] ZINC000064539491 173205629 /nfs/dbraw/zinc/20/56/29/173205629.db2.gz YAXBDFGVNZOPAX-FKSUSPILSA-N 2 1 232.284 -2.744 1 0 BAAFMP