smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(-c2nc3ccc(Cl)cn3c2CN2CC[NH2+]CC2)cc1 ZINC000022464956 212299926 /nfs/dbraw/zinc/29/99/26/212299926.db2.gz JHALZZXKEQBKKD-UHFFFAOYSA-N 1 0 344.821 3.199 30 0 EGACRO