smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCCNCC(=O)Nc1c2ccccc2cc2ccccc21 ZINC000169329647 197742878 /nfs/dbraw/zinc/74/28/78/197742878.db2.gz ZZLCHTLBDMXAQR-UHFFFAOYSA-N 1 3 321.424 3.260 1 5 DGBFHO