smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[NH2+]CCCNC 100016237 343708819 /nfs/dbraw/zinc/70/88/19/343708819.db2.gz QKPBZKMDLSQTQA-UHFFFAOYSA-N 1 3 186.343 2.156 50 30 AEEAHO CCCCCCCC[NH2+]CCCN 100650317 343719501 /nfs/dbraw/zinc/71/95/01/343719501.db2.gz KPZNJYFFUWANHA-UHFFFAOYSA-N 1 3 186.343 2.285 50 30 in-vitro AEEAHO