smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CN(C)c1ccc([NH3+])cc1 20374397 572218106 /nfs/dbraw/zinc/21/81/06/572218106.db2.gz OKJTZLKAUDUBLQ-UHFFFAOYSA-N 1 2 193.250 0.451 20 10 ACCDLO