smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc(C)[nH+]1 ZINC000072149482 454272974 /nfs/dbraw/zinc/27/29/74/454272974.db2.gz DFJHTYIJXGNSSQ-PZJWPPBQSA-N 2 3 342.531 3.085 50 0 EGAAHP