smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](CC(N)=O)Cc1cccc(F)c1O ZINC000231829973 385823960 /nfs/dbraw/zinc/82/39/60/385823960.db2.gz MCBPXVAFFPHPEC-UHFFFAOYSA-N -1 2 226.251 0.839 10 10 BCCELM