smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C/C(Nc1ccc(Cl)cc1)=[NH+]\c1ccc(Cl)cc1 ZINC000255189154 567110882 /nfs/dbraw/zinc/11/08/82/567110882.db2.gz OBAUJBRUTLHIBN-UHFFFAOYSA-N 2 2 294.185 4.094 40 30 CIEBLP