smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1 ZINC000095590761 136182337 /nfs/dbraw/zinc/18/23/37/136182337.db2.gz DSSCLZRDKCJCPH-UHFFFAOYSA-N 1 1 384.483 4.520 20 10 GJCDMO