smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000034683569 569644532 /nfs/dbraw/zinc/64/45/32/569644532.db2.gz VBFFINUOUJKIFG-UHFFFAOYSA-N 1 2 463.509 5.059 10 5 JKBELO