smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc(C[N+]23CN4CN(CN(C4)C2)C3)ccc1C[N+]12CN3CN(CN(C3)C1)C2 ZINC000019324181 207114240 /nfs/dbraw/zinc/11/42/40/207114240.db2.gz WBCSIMQPMRRDAB-UHFFFAOYSA-N 2 0 384.532 -0.296 10 5 GBBERP