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+]1CCN(c2ccc(CNC(=O)c3ccc(C(=O)NCc4ccc(N5CC[NH+](C)CC5)nc4)cc3)cn2)CC1 ZINC000514394254 1066333162 /nfs/dbraw/zinc/33/31/62/1066333162.db2.gz LALCXCKAZRDBLC-UHFFFAOYSA-N 2 0 542.688 1.840 20 0 KDADRP