smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1-c1cc(NCCC[NH+](C)C)c2ccccc2[nH+]1 ZINC000028639509 182532827 /nfs/dbraw/zinc/53/28/27/182532827.db2.gz DQKAVBMZFFAFTG-UHFFFAOYSA-N 2 1 319.452 4.574 1 0 DJAFMP CC(C)[NH2+][C@H]1CCC[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000029052660 182550402 /nfs/dbraw/zinc/55/04/02/182550402.db2.gz HFVIXALFEXYGMK-LSDHHAIUSA-N 2 1 317.864 4.609 1 0 DJAFMP