smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1cc(C[NH3+])cc(C[NH+](C)C)c1O ZINC000575419564 387026621 /nfs/dbraw/zinc/02/66/21/387026621.db2.gz RJFMJUBORYJNDY-UHFFFAOYSA-N 3 1 237.347 0.974 40 10 BCCBMP