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([O-])NCC(=O)N[N-]C(=O)c1cn[nH]c1 ZINC000834202788 605448515 /nfs/dbraw/zinc/44/85/15/605448515.db2.gz BJCRWDSAQCGSDP-UHFFFAOYSA-N -2 3 227.180 -1.562 20 50 BAGDHL