smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@H+]1CCc2cc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2C1 ZINC000043011631 212042761 /nfs/dbraw/zinc/04/27/61/212042761.db2.gz DPBDOHDRLDNYOJ-UHFFFAOYSA-N 2 1 384.483 3.920 1 30 GHEFMP