smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(C[N+](C)(C)C)c1 ZINC000040670183 717127525 /nfs/dbraw/zinc/12/75/25/717127525.db2.gz MHHAVOFGPUEZBD-UHFFFAOYSA-N 2 1 289.407 1.078 1 5 CDBFMP