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(=N)NC(=[NH2+])N1c1cccc(CNC(=O)Nc2cccc(C#N)c2)c1 ZINC000016955949 209234569 /nfs/dbraw/zinc/23/45/69/209234569.db2.gz OTIOCWZVXQZACT-UHFFFAOYSA-N 1 3 390.451 2.065 10 30 GEEEHO