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)C[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4ccccc4)s3)C[C@H]21 ZINC000217081784 568416224 /nfs/dbraw/zinc/41/62/24/568416224.db2.gz VDMYFLOEGFFRKH-NNZMDNLPSA-N 2 0 312.482 3.655 50 70 DHIARP